Datasets:
Anonymous-07
/
SafeChem

Dataset card Data Studio Files
xet
 Community
1
primary_name
string
cas_number
string
cid
int64
iupac_name
string
canonical_smiles
string
inchi
string
inchi_key
string
molecular_formula
string
molecular_weight
float64
exact_mass
float64
xlogp
float64
tpsa
float64
complexity
int64
charge
int64
h_bond_donor_count
int64
h_bond_acceptor_count
int64
rotatable_bond_count
int64
heavy_atom_count
int64
flash_point
string
boiling_point
string
acute_aquatic_toxicity
int64
acute_toxicity_dermal
int64
acute_toxicity_inhalation
int64
acute_toxicity_oral
int64
aspiration_hazard
int64
carcinogenicity
int64
chronic_aquatic_toxicity
int64
eye_damage_irritation
int64
flammable_liquids
int64
flammable_solids
int64
germ_cell_mutagenicity
int64
metal_corrosion
int64
organic_peroxides
int64
reproductive_toxicity
int64
respiratory_sensitization
int64
self_reactive_substances
int64
skin_corrosion_irritation
int64
skin_sensitization
int64
stot_repeated_exposure
int64
stot_single_exposure
int64
ETHANOL, 2-BUTOXY-, HYDROGEN PHOSPHATE
014260-97-0
84,299
bis(2-butoxyethyl) hydrogen phosphate
CCCCOCCOP(=O)(O)OCCOCCCC
InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
NNXWIPHZHATIFE-UHFFFAOYSA-N
C12H27O6P
298.31
298.154526
1.2
74.2
216
0
1
6
14
19
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-HEXANESULFONYL CHLORIDE
014532-24-2
84,504
hexane-1-sulfonyl chloride
CCCCCCS(=O)(=O)Cl
InChI=1S/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
AEHJDQSLTMFLQO-UHFFFAOYSA-N
C6H13ClO2S
184.69
184.032479
2.7
42.5
157
0
0
2
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILANE, DICHLOROHEXYLMETHYL-
014799-94-1
84,650
dichloro-hexyl-methylsilane
CCCCCC[Si](C)(Cl)Cl
InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
KKRMHVJQWMXYBZ-UHFFFAOYSA-N
C7H16Cl2Si
199.19
198.039832
null
0
83
0
0
0
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHANEDIOYL DIBROMIDE
015219-34-8
84,841
oxalyl dibromide
C(=O)(C(=O)Br)Br
InChI=1S/C2Br2O2/c3-1(5)2(4)6
JAZLVNXWYDFQFE-UHFFFAOYSA-N
C2Br2O2
215.83
215.82446
1.8
34.1
75
0
0
2
1
6
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
9-OCTADECENAMIDE, N-[2-[(2-AMINOETHYL)AMINO]ETHYL]-, (Z)-
015566-80-0
6,436,424
(Z)-N-[2-(2-aminoethylamino)ethyl]octadec-9-enamide
CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN
InChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26)/b10-9-
FUJIFZPMNJHIDG-KTKRTIGZSA-N
C22H45N3O
367.6
367.356263
5.6
67.2
319
0
3
3
20
26
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
NEODYMIUM HYDROXIDE (ND(OH)3)
016469-17-3
85,433
neodymium(3+) trihydroxide
[OH-].[OH-].[OH-].[Nd+3]
InChI=1S/Nd.3H2O/h;3*1H2/q+3;;;/p-3
ZBAQHMBLDSQPHC-UHFFFAOYSA-K
H3NdO3
195.26
192.91595
null
3
0
0
3
3
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PENTATRIACONTAFLUOROOCTADECANOIC ACID
016517-11-6
167,547
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)
ZTSDOGSKTICNPQ-UHFFFAOYSA-N
C18HF35O2
914.1
913.941765
11.6
37.3
1,440
0
1
37
16
55
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILANETRIOL, METHYL-, SODIUM SALT
016589-43-8
14,009,234
trisodium;methyl(trioxido)silane
C[Si]([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChI=1S/CH3O3Si.3Na/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1
TYWKEXJQDDWAAM-UHFFFAOYSA-N
CH3Na3O3Si
160.09
159.954453
null
69.2
28
0
0
3
0
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
.BETA.-ALANINE, MONOSODIUM SALT
016690-93-0
23,674,880
sodium 3-aminopropanoate
C(CN)C(=O)[O-].[Na+]
InChI=1S/C3H7NO2.Na/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1
QKJPFZCCZMBRFB-UHFFFAOYSA-M
C3H6NNaO2
111.08
111.029623
null
66.2
56
0
1
3
2
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONATE(2-), HEXAFLUORO-, DISODIUM, (OC-6-11)-
016925-26-1
167,589
disodium;zirconium(4+);hexafluoride
[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Zr+4]
InChI=1S/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6
KSYURTCLCUKLSF-UHFFFAOYSA-H
F6Na2Zr
251.19
249.874656
null
0
0
0
0
6
0
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BROMOOCTYLMAGNESIUM
017049-49-9
86,923
magnesium;octane;bromide
CCCCCCC[CH2-].[Mg+2].[Br-]
InChI=1S/C8H17.BrH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q-1;;+2/p-1
IOOQQIVFCFWSIU-UHFFFAOYSA-M
C8H17BrMg
217.43
216.0364
null
0
40
0
0
2
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILANE, DICHLOROBIS(1,1-DIMETHYLETHYL)-
018395-90-9
87,624
ditert-butyl(dichloro)silane
CC(C)(C)[Si](C(C)(C)C)(Cl)Cl
InChI=1S/C8H18Cl2Si/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3
PDYPRPVKBUOHDH-UHFFFAOYSA-N
C8H18Cl2Si
213.22
212.055483
null
0
123
0
0
0
2
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
RUTHENIUM, TRICHLORONITROSYL-
018902-42-6
53,384,400
nitroxyl anion;ruthenium(4+);trichloride
[N-]=O.[Cl-].[Cl-].[Cl-].[Ru+4]
InChI=1S/3ClH.NO.Ru/c;;;1-2;/h3*1H;;/q;;;-1;+4/p-3
AUWSZCCJRSCQEP-UHFFFAOYSA-K
Cl3NORu
237.4
236.808887
null
18.1
2
0
0
5
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHATE(1-), HEXAFLUORO-, NITRYL
019200-21-6
45,933,661
nitronium hexafluorophosphate
[N+](=O)=O.F[P-](F)(F)(F)(F)F
InChI=1S/F6P.NO2/c1-7(2,3,4,5)6;2-1-3/q-1;+1
DXWZKTLGZWTYPL-UHFFFAOYSA-N
F6NO2P
190.97
190.957084
null
35.1
81
0
0
9
0
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-TRIDECANETHIOL
019484-26-5
29,634
tridecane-1-thiol
CCCCCCCCCCCCCS
InChI=1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
IPBROXKVGHZHJV-UHFFFAOYSA-N
C13H28S
216.43
216.191172
6.6
1
91
0
1
1
11
14
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
HEXANOIC ACID, 2-ETHYL-, RHODIUM(3+) SALT
020845-92-5
89,395
tris(2-ethylhexanoate);rhodium(3+)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Rh+3]
InChI=1S/3C8H16O2.Rh/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
BMTDZORNBFQUEA-UHFFFAOYSA-K
C24H45O6Rh
532.5
532.22711
null
120
93
0
0
6
12
31
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
1
0
0
1
0
0
1
NONANOIC ACID, 2-METHYL-
024323-21-5
91,166
2-methylnonanoic acid
CCCCCCCC(C)C(=O)O
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
KUSYIGBGHPOWEL-UHFFFAOYSA-N
C10H20O2
172.26
172.14633
4
37.3
121
0
1
2
7
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETIC ACID, AMMONIUM ZINC SALT
024846-92-2
168,206
azanium;zinc;triacetate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[NH4+].[Zn+2]
InChI=1S/3C2H4O2.H3N.Zn/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H3;/q;;;;+2/p-2
PVKFMRXEWAAGSZ-UHFFFAOYSA-L
C6H13NO6Zn
260.6
259.003429
null
121
25
0
1
6
0
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, MONOETHYL ESTER, DIAMMONIUM SALT
024856-79-9
90,632
azane;ethyl dihydrogen phosphate
CCOP(=O)(O)O.N.N
InChI=1S/C2H7O4P.2H3N/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);2*1H3
XRVFPYDPBSDLAD-UHFFFAOYSA-N
C2H13N2O4P
160.11
160.061294
null
68.8
83
0
4
6
2
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
9,12-OCTADECADIENOIC ACID (Z,Z)-, ANHYDRIDE
024909-68-0
90,646
octadeca-9,12-dienoyl octadeca-9,12-dienoate
CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI=1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3
BDTYMGCNULYACO-UHFFFAOYSA-N
C36H62O3
542.9
542.469896
13.5
43.4
600
0
0
3
30
39
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
STANNANE, DIBUTYLBIS[(1-OXONEODECYL)OXY]-
025168-22-3
16,683,940
[dibutyl(decanoyloxy)stannyl] decanoate
CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC
InChI=1S/2C10H20O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10(11)12;2*1-3-4-2;/h2*2-9H2,1H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
MMEFASXEQMDPAW-UHFFFAOYSA-L
C28H56O4Sn
575.5
576.320063
null
52.6
425
0
0
4
26
33
null
null
1
0
0
0
0
0
1
1
0
0
1
0
0
1
0
0
1
1
1
1
ETHANOL, 2-[2-[2-(HEXYLOXY)ETHOXY]ETHOXY]-
025961-89-1
94,362
2-[2-(2-hexoxyethoxy)ethoxy]ethanol
CCCCCCOCCOCCOCCO
InChI=1S/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3
RGICCULPCWNRAB-UHFFFAOYSA-N
C12H26O4
234.33
234.183109
1.6
47.9
120
0
1
4
13
16
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PROPANENITRILE, 3-(9-OCTADECENYLAMINO)-, (Z)-
026351-32-6
6,438,051
3-[[(Z)-octadec-9-enyl]amino]propanenitrile
CCCCCCCC/C=C\CCCCCCCCNCCC#N
InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3/b10-9-
WFWQUQYVEYXMPO-KTKRTIGZSA-N
C21H40N2
320.6
320.319149
7.4
35.8
287
0
1
2
18
23
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
1-PROPANOL, 3-AMINO-2,2-DIMETHYL-
026734-09-8
117,326
3-amino-2,2-dimethylpropan-1-ol
CC(C)(CN)CO
InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3
FNVOFDGAASRDQY-UHFFFAOYSA-N
C5H13NO
103.16
103.099714
-0.2
46.3
52
0
2
2
2
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1-BUTANESULFONIC ACID, 4-HYDROXY-
026978-64-3
96,391
4-hydroxybutane-1-sulfonic acid
C(CCS(=O)(=O)O)CO
InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)
YEGPVWSPNYPPIK-UHFFFAOYSA-N
C4H10O4S
154.19
154.02998
-0.9
83
142
0
2
4
4
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORODITHIOIC ACID, O,O-DIISOOCTYL ESTER
026999-29-1
117,907
bis(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CC(C)CCCCCOP(=S)(OCCCCCC(C)C)S
InChI=1S/C16H35O2PS2/c1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,21)
DXECDJILNIXBML-UHFFFAOYSA-N
C16H35O2PS2
354.6
354.18161
7.9
51.6
259
0
1
4
14
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, CHROMIUM(3+) SALT (3:1)
027096-04-4
161,552
chromium(3+) triphosphate
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Cr+3]
InChI=1S/Cr.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-9
OOUMMVQQCICTGF-UHFFFAOYSA-E
CrO12P3-6
336.91
336.800766
null
259
36
-6
0
12
0
16
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLETHYL) ESTER, SODIUM SALT
027205-99-8
23,681,152
sodium di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
CC(C)OP(=S)(OC(C)C)[S-].[Na+]
InChI=1S/C6H15O2PS2.Na/c1-5(2)7-9(10,11)8-6(3)4;/h5-6H,1-4H3,(H,10,11);/q;+1/p-1
ZRNMDYDECQBXQW-UHFFFAOYSA-M
C6H14NaO2PS2
236.3
236.007053
null
51.6
150
0
0
4
4
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,3,3,3-HEXAFLUORO-2-[1,1,2,3,3
027639-98-1
119,616
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoyl fluoride
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)F
InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24
IIYQDKPSLAINNX-UHFFFAOYSA-N
C12F24O4
664.09
663.941334
8.2
44.8
928
0
0
28
10
40
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-PENTANONE, 1-HYDROXY-2-METHYL-
027970-79-2
161,588
1-hydroxy-2-methylpentan-3-one
CCC(=O)C(C)CO
InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3
JYEMLYGXHDIVRA-UHFFFAOYSA-N
C6H12O2
116.16
116.08373
0.2
37.3
78
0
1
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
PHOSPHONOUS DICHLORIDE, 1,2-ETHANEDIYLBIS-
028240-69-9
119,904
dichloro(2-dichlorophosphanylethyl)phosphane
C(CP(Cl)Cl)P(Cl)Cl
InChI=1S/C2H4Cl4P2/c3-7(4)1-2-8(5)6/h1-2H2
SBWAJHLQMFBNIN-UHFFFAOYSA-N
C2H4Cl4P2
231.8
231.851285
2.8
0
48
0
0
0
1
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
FORMAMIDE, N,N-DIMETHYL-, COMPD. WITH SULFUR TRIOXIDE (1:1)
029584-42-7
169,056
N,N-dimethylformamide;sulfur trioxide
CN(C)C=O.O=S(=O)=O
InChI=1S/C3H7NO.O3S/c1-4(2)3-5;1-4(2)3/h3H,1-2H3;
AFDQGRURHDVABZ-UHFFFAOYSA-N
C3H7NO4S
153.16
153.009579
null
72.5
95
0
0
4
0
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, BROMO-, 1-METHYLETHYL ESTER
029921-57-1
121,593
propan-2-yl 2-bromoacetate
CC(C)OC(=O)CBr
InChI=1S/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
JCWLEWKPXYZHGQ-UHFFFAOYSA-N
C5H9BrO2
181.03
179.97859
1.7
26.3
80
0
0
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SILANETRIOL, METHYL-, POTASSIUM SALT
031795-24-1
23,689,131
potassium dihydroxy-methyl-oxidosilane
C[Si](O)(O)[O-].[K+]
InChI=1S/CH5O3Si.K/c1-5(2,3)4;/h2-3H,1H3;/q-1;+1
MQGFFOISLVUDQU-UHFFFAOYSA-N
CH5KO3Si
132.23
131.964502
null
63.5
37
0
2
3
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHANAMINIUM, 2-HYDROXY-N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, HYDROXIDE
033667-48-0
118,525
tris(2-hydroxyethyl)-methylazanium hydroxide
C[N+](CCO)(CCO)CCO.[OH-]
InChI=1S/C7H18NO3.H2O/c1-8(2-5-9,3-6-10)4-7-11;/h9-11H,2-7H2,1H3;1H2/q+1;/p-1
IJGSGCGKAAXRSC-UHFFFAOYSA-M
C7H19NO4
181.23
181.131408
null
61.7
80
0
4
4
6
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[6,1-HEXANEDIYLNITRILOBIS(METHYLE
034690-00-1
118,717
[bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid
C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)
YWMWZKYVGNWJPU-UHFFFAOYSA-N
C17H44N3O15P5
685.4
685.146053
-12.3
297
846
0
10
18
24
40
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3,6,9,12-TETRAOXAPENTADECANOYL FLUORIDE, 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15
034761-47-2
118,188
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl fluoride
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F
InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28
QDHLRGOEEBWEIB-UHFFFAOYSA-N
C15F30O5
830.11
829.926668
10.3
54
1,230
0
0
35
13
50
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHANOL, 2-(PENTYLAMINO)-
035161-67-2
97,502
2-(pentylamino)ethanol
CCCCCNCCO
InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3
SALYKAIZVOFAEJ-UHFFFAOYSA-N
C7H17NO
131.22
131.131014
0.9
32.3
48
0
2
2
6
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
3-PENTENOIC ACID, 2-METHYL-
037674-63-8
61,969
2-methylpent-3-enoic acid
CC=CC(C)C(=O)O
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)
NFRJJFMXYKSRPK-UHFFFAOYSA-N
C6H10O2
114.14
114.06808
1.3
37.3
105
0
1
2
2
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DODECYL-.OMEGA.-HYDROXY-, PHOSPHATE
039464-66-9
93,216
2-dodecoxyethanol;phosphoric acid
CCCCCCCCCCCCOCCO.OP(=O)(O)O
InChI=1S/C14H30O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-5(2,3)4/h15H,2-14H2,1H3;(H3,1,2,3,4)
SGOWHAISCQQAPM-UHFFFAOYSA-N
C14H33O6P
328.38
328.201476
null
107
165
0
4
6
13
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-BUTANOL, 4-AMINO-
039884-48-5
170,254
4-aminobutan-2-ol
CC(CCN)O
InChI=1S/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3
NAXUFNXWXFZVSI-UHFFFAOYSA-N
C4H11NO
89.14
89.084064
-0.6
46.3
30
0
2
2
2
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-PROPENOIC ACID, PHOSPHINICOBIS(OXY-2,1-ETHANEDIYL) ESTER
040074-34-8
170,271
2-[hydroxy(2-prop-2-enoyloxyethoxy)phosphoryl]oxyethyl prop-2-enoate
C=CC(=O)OCCOP(=O)(O)OCCOC(=O)C=C
InChI=1S/C10H15O8P/c1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14)
WAJJFPMYKWCDNI-UHFFFAOYSA-N
C10H15O8P
294.19
294.050454
-0.1
108
346
0
1
8
12
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
9-OCTADECENOIC ACID (Z)-, 2-(DIETHYLAMINO)ETHYL ESTER
045296-12-6
170,760
2-(diethylamino)ethyl octadec-9-enoate
CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CC
InChI=1S/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3
VWTYZZXUXJVLIO-UHFFFAOYSA-N
C24H47NO2
381.6
381.36068
8.4
29.5
337
0
0
3
21
27
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GLYCINE, N-METHYL-N-(1-OXOTETRADECYL)-
052558-73-3
104,234
2-[methyl(tetradecanoyl)amino]acetic acid
CCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21/h3-15H2,1-2H3,(H,20,21)
NGOZDSMNMIRDFP-UHFFFAOYSA-N
C17H33NO3
299.4
299.246044
5.6
57.6
279
0
1
3
14
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORODITHIOIC ACID, O,O-BIS(2-METHYLPROPYL) ESTER, SODIUM SALT
053378-51-1
23,688,597
sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-lambda5-phosphane
CC(C)COP(=S)(OCC(C)C)[S-].[Na+]
InChI=1S/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1
FOYPFIDVYRCZKA-UHFFFAOYSA-M
C8H18NaO2PS2
264.3
264.038353
null
51.6
172
0
0
4
6
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHOROTHIOIC ACID, O,O-BIS(2-METHYLPROPYL) ESTER, SODIUM SALT
053378-52-2
23,681,713
sodium bis(2-methylpropoxy)-oxido-sulfanylidene-lambda5-phosphane
CC(C)COP(=S)([O-])OCC(C)C.[Na+]
InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1
VVTVDXPOGQYVFX-UHFFFAOYSA-M
C8H18NaO3PS
248.26
248.061197
null
73.6
171
0
0
4
6
14
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
OCTANOIC ACID, 4-METHYL-
054947-74-9
62,089
4-methyloctanoic acid
CCCCC(C)CCC(=O)O
InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
LEGGANXCVQPIAI-UHFFFAOYSA-N
C9H18O2
158.24
158.13068
3
37.3
110
0
1
2
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(TRIDECYLOXY)-
056388-96-6
62,114
2-(2-tridecoxyethoxy)acetic acid
CCCCCCCCCCCCCOCCOCC(=O)O
InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19/h2-16H2,1H3,(H,18,19)
YZSYVEVDNXPMQU-UHFFFAOYSA-N
C17H34O4
302.4
302.24571
5.7
55.8
219
0
1
4
17
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, (HEXYLOXY)-
057931-25-6
93,845
2-hexoxyacetic acid
CCCCCCOCC(=O)O
InChI=1S/C8H16O3/c1-2-3-4-5-6-11-7-8(9)10/h2-7H2,1H3,(H,9,10)
HJOGHUABHYACMH-UHFFFAOYSA-N
C8H16O3
160.21
160.109944
2
46.5
102
0
1
3
7
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DECYL ESTER
060476-40-6
108,949
nonan-1-ol;phosphoric acid
CCCCCCCCCO.OP(=O)(O)O
InChI=1S/C9H20O.H3O4P/c1-2-3-4-5-6-7-8-9-10;1-5(2,3)4/h10H,2-9H2,1H3;(H3,1,2,3,4)
OCLDMHBMRPQIMZ-UHFFFAOYSA-N
C9H23O5P
242.25
242.128311
null
98
102
0
4
5
7
15
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SILANEDIOL, (1,1-DIMETHYLETHOXY)ETHENYL-, DIACETATE
064426-40-0
116,619
[acetyloxy-ethenyl-[(2-methylpropan-2-yl)oxy]silyl] acetate
CC(=O)O[Si](C=C)(OC(=O)C)OC(C)(C)C
InChI=1S/C10H18O5Si/c1-7-16(13-8(2)11,14-9(3)12)15-10(4,5)6/h7H,1H2,2-6H3
MKIGOIXSOYVYHF-UHFFFAOYSA-N
C10H18O5Si
246.33
246.09235
null
61.8
276
0
0
5
7
16
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
HENTRIACONTAFLUOROHEXADECANOIC ACID
067905-19-5
106,027
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
OJMBMWRMTMHMSZ-UHFFFAOYSA-N
C16HF31O2
814.13
813.948152
10.3
37.3
1,250
0
1
33
14
49
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PLATINATE (PT(OH)62-), (OC-6-11)-, DIHYDROGEN, COMPD. WITH 2-AMINOETHANOL (1:2
068133-90-4
176,261
bis(2-aminoethanol);hydron;platinum(4+);hexahydroxide
[H+].[H+].C(CO)N.C(CO)N.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Pt+4]
InChI=1S/2C2H7NO.6H2O.Pt/c2*3-1-2-4;;;;;;;/h2*4H,1-3H2;6*1H2;/q;;;;;;;;+4/p-4
MUXAIIZNFGJLPA-UHFFFAOYSA-J
C4H22N2O8Pt
421.31
421.10241
null
98.5
10
0
12
10
2
15
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DECYL OCTYL ESTER
068186-45-8
109,690
heptyl nonyl hydrogen phosphate
CCCCCCCCCOP(=O)(O)OCCCCCCC
InChI=1S/C16H35O4P/c1-3-5-7-9-10-12-14-16-20-21(17,18)19-15-13-11-8-6-4-2/h3-16H2,1-2H3,(H,17,18)
NYKANSKCKXDDMQ-UHFFFAOYSA-N
C16H35O4P
322.42
322.227297
5.8
55.8
259
0
1
4
16
21
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, (3-METHYLBUTOXY)-
068298-29-3
109,984
2-(3-methylbutoxy)acetic acid
CC(C)CCOCC(=O)O
InChI=1S/C7H14O3/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
CLUKHRLTJBCIBD-UHFFFAOYSA-N
C7H14O3
146.18
146.094294
1.4
46.5
99
0
1
3
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, 2-ETHYLHEXYL ESTER, COMPD. WITH 2-AMINOETHANOL
068425-72-9
90,659,418
2-aminoethanol;2-ethylhexyl dihydrogen phosphate
CCCCC(CC)COP(=O)(O)O.C(CO)N
InChI=1S/C8H19O4P.C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);4H,1-3H2
TZFAFCBACSPDPK-UHFFFAOYSA-N
C10H26NO5P
271.29
271.15486
null
113
176
0
4
6
8
17
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHORIC ACID, HEXYL ESTER
068511-03-5
87,717,882
hexan-1-ol;phosphoric acid
CCCCCCO.OP(=O)(O)O
InChI=1S/C6H14O.H3O4P/c1-2-3-4-5-6-7;1-5(2,3)4/h7H,2-6H2,1H3;(H3,1,2,3,4)
KWXUGQMPTMYZDT-UHFFFAOYSA-N
C6H17O5P
200.17
200.081361
null
98
77
0
4
5
4
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, ETHYL ESTER, AMMONIUM SALT
068647-23-4
44,146,070
diazanium;ethyl phosphate
CCOP(=O)([O-])[O-].[NH4+].[NH4+]
InChI=1S/C2H7O4P.2H3N/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);2*1H3
XRVFPYDPBSDLAD-UHFFFAOYSA-N
C2H13N2O4P
160.11
160.061294
null
74.4
72
0
2
4
1
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHANOL, 2-(2-BUTOXYETHOXY)-, PHOSPHATE
068814-09-5
173,028
2-(2-butoxyethoxy)ethyl dihydrogen phosphate
CCCCOCCOCCOP(=O)(O)O
InChI=1S/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)
LKPWWJFRGYSIFA-UHFFFAOYSA-N
C8H19O6P
242.21
242.091925
-0.6
85.2
180
0
2
6
10
15
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
FORMIC ACID, AMMONIUM SALT (4:1)
070179-79-2
155,559
azane;formic acid
C(=O)O.C(=O)O.C(=O)O.C(=O)O.N
InChI=1S/4CH2O2.H3N/c4*2-1-3;/h4*1H,(H,2,3);1H3
FVIBNHDGNPGXDN-UHFFFAOYSA-N
C4H11NO8
201.13
201.048466
null
150
10
0
5
9
0
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SULFURIC ACID, MONO(2-ETHYLHEXYL) ESTER, AMMONIUM SALT
070495-37-3
53,470,896
azanium 2-ethylhexyl sulfate
CCCCC(CC)COS(=O)(=O)[O-].[NH4+]
InChI=1S/C8H18O4S.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);1H3
ZJSHKBMGBWALPK-UHFFFAOYSA-N
C8H21NO4S
227.32
227.119129
null
75.8
191
0
1
4
6
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1-DECANAMINE, N-DECYL-N-METHYL-, N-OXIDE
100545-50-4
93,529
N-decyl-N-methyldecan-1-amine oxide
CCCCCCCCCC[N+](C)(CCCCCCCCCC)[O-]
InChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
GATZCJINVHTSTO-UHFFFAOYSA-N
C21H45NO
327.6
327.350115
8.7
18.1
210
0
0
1
18
23
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ZIRCONIUM, TRIS[2-[(2-AMINOETHYL)AMINO]ETHANOLATO-O][2,2-BIS[(2-PROPENYLOXY)ME
103373-95-1
71,300,658
tris(2-(2-aminoethylamino)ethanol);2,2-bis(prop-2-enoxymethyl)butan-1-ol;zirconium
CCC(CO)(COCC=C)COCC=C.C(CNCCO)N.C(CNCCO)N.C(CNCCO)N.[Zr]
InChI=1S/C12H22O3.3C4H12N2O.Zr/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;3*5-1-2-6-3-4-7;/h4-5,13H,1-2,6-11H2,3H3;3*6-7H,1-5H2;
FVNPWCGREJXBCI-UHFFFAOYSA-N
C24H58N6O6Zr
618
616.346482
null
214
367
0
10
12
22
37
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
0
0
.BETA.-ALANINE, N,N-BIS(CARBOXYMETHYL)-, TRISODIUM SALT
129050-62-0
14,597,623
trisodium;3-[bis(carboxylatomethyl)amino]propanoate
C(CN(CC(=O)[O-])CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI=1S/C7H11NO6.3Na/c9-5(10)1-2-8(3-6(11)12)4-7(13)14;;;/h1-4H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
IVZOJBMAVRDAOD-UHFFFAOYSA-K
C7H8NNa3O6
271.11
271.00447
null
124
206
0
0
7
4
17
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRAPENTYLAMMONIUM HYDROXIDE
004598-61-2
14,325,059
tetrapentylazanium hydroxide
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[OH-]
InChI=1S/C20H44N.H2O/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H2/q+1;/p-1
JVOPCCBEQRRLOJ-UHFFFAOYSA-M
C20H45NO
315.6
315.350115
null
1
155
0
1
1
16
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRAHEXYLAMMONIUM HYDROXIDE
017756-56-8
13,998,878
tetrahexylazanium hydroxide
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-]
InChI=1S/C24H52N.H2O/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H2/q+1;/p-1
JCJNUSDBRRKQPC-UHFFFAOYSA-M
C24H53NO
371.7
371.412715
null
1
195
0
1
1
20
26
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHYLENEDIAMINE TRIACETIC ACID, TRISODIUM SALT
019019-43-3
167,781
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethylamino]acetate
C(CN(CC(=O)[O-])CC(=O)[O-])NCC(=O)[O-].[Na+].[Na+].[Na+]
InChI=1S/C8H14N2O6.3Na/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16;;;/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16);;;/q;3*+1/p-3
WLMMGNLFDSJGOG-UHFFFAOYSA-K
C8H11N2Na3O6
300.15
300.031019
null
136
235
0
1
8
6
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
phosphazene base p(2)-tert-butyl
111324-03-9
4,275,357
N-[tert-butylimino-(dimethylamino)-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine
CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI=1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3
CJTQESMNKMUZAO-UHFFFAOYSA-N
C14H39N7P2
367.45
367.274218
2.4
40.9
447
0
0
7
7
23
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
METHYLTRIBUTYLAMMONIUM HYDROXIDE
32680-30-1
36,208
tributyl(methyl)azanium hydroxide
CCCC[N+](C)(CCCC)CCCC.[OH-]
InChI=1S/C13H30N.H2O/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H2/q+1;/p-1
QVOFCQBZXGLNAA-UHFFFAOYSA-M
C13H31NO
217.39
217.240565
null
1
98
0
1
1
9
15
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHAZENE BASE P4-T-BU-SOLUTION
111324-04-0
4,339,838
N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine
CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C
InChI=1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3
NSRBCQCXZAYQHF-UHFFFAOYSA-N
C22H63N13P4
633.7
633.427987
3.7
78.6
820
0
0
13
13
39
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-ETHYLHEXANOL PHOSPHATE, DIETHANOLAMINE SALT
073070-48-1
175,406
2-ethylhexyl dihydrogen phosphate;2-(2-hydroxyethylamino)ethanol
CCCCC(CC)COP(=O)(O)O.C(CO)NCCO
InChI=1S/C8H19O4P.C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);5-7H,1-4H2
AMQKEJDPYCXDMK-UHFFFAOYSA-N
C12H30NO6P
315.34
315.181075
null
119
194
0
5
7
11
20
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
N-(2-((carboxymethyl)amino)ethyl)-N-(2-hydroxyethyl)-Glycine
062099-15-4
6,454,342
disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate
C(CN(CCO)CC(=O)[O-])NCC(=O)[O-].[Na+].[Na+]
InChI=1S/C8H16N2O5.2Na/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13;;/h9,11H,1-6H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
XCCCVBYCQIOWMA-UHFFFAOYSA-L
C8H14N2Na2O5
264.19
264.06981
null
116
198
0
2
7
7
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
(2-ETHYLHEXYL)MAGNESIUM BROMIDE
090224-21-8
14,915,511
magnesium;3-methanidylheptane;bromide
CCCCC([CH2-])CC.[Mg+2].[Br-]
InChI=1S/C8H17.BrH.Mg/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q-1;;+2/p-1
CFPKVQBKKLRQHZ-UHFFFAOYSA-M
C8H17BrMg
217.43
216.0364
null
0
48
0
0
2
4
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM 2-(1-CARBOXYLATOETHOXY)-1-METHYL-2-OXOETHYL LAURATE
013557-75-0
23,674,328
sodium 2-(2-dodecanoyloxypropanoyloxy)propanoate
CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]
InChI=1S/C18H32O6.Na/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21;/h14-15H,4-13H2,1-3H3,(H,20,21);/q;+1/p-1
NTYZDAJPNNBYED-UHFFFAOYSA-M
C18H31NaO6
366.4
366.201833
null
92.7
386
0
0
6
16
25
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRAOCTYLPHOSPHONIUM BROMIDE
023906-97-0
3,015,167
tetraoctylphosphanium bromide
CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
InChI=1S/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
QVBRLOSUBRKEJW-UHFFFAOYSA-M
C32H68BrP
563.8
562.4242
null
0
281
0
0
1
28
34
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
DIMETHYLDIPROPYLAMMONIUM HYDROXIDE
836597-65-0
22,056,564
dimethyl(dipropyl)azanium hydroxide
CCC[N+](C)(C)CCC.[OH-]
InChI=1S/C8H20N.H2O/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H2/q+1;/p-1
OSSXLTCIVXOQNK-UHFFFAOYSA-M
C8H21NO
147.26
147.162314
null
1
59
0
1
1
4
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM(TRIMETHYLSILYL)ACETYLIDE
054655-07-1
3,431,600
lithium ethynyl(trimethyl)silane
[Li+].C[Si](C)(C)C#[C-]
InChI=1S/C5H9Si.Li/c1-5-6(2,3)4;/h2-4H3;/q-1;+1
WDDOQHLJFOUQMW-UHFFFAOYSA-N
C5H9LiSi
104.2
104.063355
null
0
82
0
0
1
1
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
NDSB-211
038880-58-9
4,985,784
3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate
C[N+](C)(CCCS(=O)(=O)[O-])CCO
InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3
CNXPCGBLGHKAIL-UHFFFAOYSA-N
C7H17NO4S
211.28
211.087829
-1.2
85.8
216
0
1
4
5
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM NITRATE
016092-48-1
23,619,099
zirconium(4+) nitrate
[N+](=O)([O-])[O-].[Zr+4]
InChI=1S/NO3.Zr/c2-1(3)4;/q-1;+4
JHHSIWYRUIFENY-UHFFFAOYSA-N
NO3Zr+3
153.23
151.892517
null
62.9
18
3
0
3
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHORIC ACID, BUTYL ESTER
012788-93-1
3,033,844
butan-1-ol;phosphoric acid
CCCCO.OP(=O)(O)O
InChI=1S/C4H10O.H3O4P/c1-2-3-4-5;1-5(2,3)4/h5H,2-4H2,1H3;(H3,1,2,3,4)
FJTUUPVRIANHEX-UHFFFAOYSA-N
C4H13O5P
172.12
172.050061
null
98
62
0
4
5
2
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
METHYLPHOSPHONOTHIOIC DICHLORIDE
000676-98-2
61,195
dichloro-methyl-sulfanylidene-lambda5-phosphane
CP(=S)(Cl)Cl
InChI=1S/CH3Cl2PS/c1-4(2,3)5/h1H3
TUNCWCIKOHOGJX-UHFFFAOYSA-N
CH3Cl2PS
148.98
147.907014
2.7
32.1
64
0
0
1
0
5
greater than 122 °F (USCG, 1999)
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
(2H2)PHOSPHINIC (2H)ACID
057583-56-9
3,085,127
null
[2H]OP(=O)([2H])[2H]
InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/i3D2/hD
ACVYVLVWPXVTIT-DZCFLQKHSA-N
H3O2P
69.015
69.005897
-1.1
37.3
10
0
1
2
0
3
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SEBACIC ACID, COMPOUND WITH 2-AMINOETHANOL
082801-62-5
44,144,777
2-aminoethanol;decanedioic acid
C(CCCCC(=O)O)CCCC(=O)O.C(CO)N
InChI=1S/C10H18O4.C2H7NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3-1-2-4/h1-8H2,(H,11,12)(H,13,14);4H,1-3H2
ZMKRMBQUHAYUCL-UHFFFAOYSA-N
C12H25NO5
263.33
263.173273
null
121
167
0
4
6
10
18
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
STRONTIUM OXIDE
001314-11-0
73,975
strontium oxygen(2-)
[O-2].[Sr+2]
InChI=1S/O.Sr/q-2;+2
IATRAKWUXMZMIY-UHFFFAOYSA-N
OSr
103.62
103.900527
null
1
0
0
0
1
0
2
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SAMARIUM HYDROXIDE
020403-06-9
88,524
samarium(3+) trihydroxide
[OH-].[OH-].[OH-].[Sm+3]
InChI=1S/3H2O.Sm/h3*1H2;/q;;;+3/p-3
BCYBEIXXOVNETJ-UHFFFAOYSA-K
H3O3Sm
201.4
202.92796
null
3
0
0
3
3
0
4
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IRON(II) FLUORIDE
007789-28-8
82,237
iron(2+) difluoride
[F-].[F-].[Fe+2]
InChI=1S/2FH.Fe/h2*1H;/q;;+2/p-2
FZGIHSNZYGFUGM-UHFFFAOYSA-L
F2Fe
93.84
93.931742
null
0
0
0
0
2
0
3
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TIN (II) BROMIDE
010031-24-0
66,224
dibromotin
Br[Sn]Br
InChI=1S/2BrH.Sn/h2*1H;/q;;+2/p-2
ZSUXOVNWDZTCFN-UHFFFAOYSA-L
Br2Sn
278.52
279.73683
null
0
2
0
0
0
0
3
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GALLIUM TETRACHLOROGALLATE
024597-12-4
20,836,016
gallium tris(tetrachlorogallanuide)
Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.[Ga+3]
InChI=1S/12ClH.4Ga/h12*1H;;;;/q;;;;;;;;;;;;4*+3/p-12
LNKHPDYBAQHZBQ-UHFFFAOYSA-B
Cl12Ga4
704.3
703.31881
null
0
19
0
0
3
0
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, ETHYL ESTER
037203-76-2
93,197
ethanol;phosphoric acid
CCO.OP(=O)(O)O
InChI=1S/C2H6O.H3O4P/c1-2-3;1-5(2,3)4/h3H,2H2,1H3;(H3,1,2,3,4)
PEZBJHXXIFFJBI-UHFFFAOYSA-N
C2H9O5P
144.06
144.01876
null
98
52
0
4
5
0
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PLATINUM(2+), TETRAAMMINEDIHYDROXY-
038201-97-7
167,323
azane;platinum(2+);dihydroxide
N.N.N.N.[OH-].[OH-].[Pt+2]
InChI=1S/4H3N.2H2O.Pt/h4*1H3;2*1H2;/q;;;;;;+2/p-2
VSKCDODNDPOZKS-UHFFFAOYSA-L
H14N4O2Pt
297.22
297.07647
null
6
0
0
6
6
0
7
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
3-Pentenoic acid, 2-propyl-, sodium salt
null
21,263
pent-3-enoic acid
CC=CCC(=O)O
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)
UIUWNILCHFBLEQ-UHFFFAOYSA-N
C5H8O2
100.12
100.05243
0.8
37.3
84
0
1
2
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-PROPENE-1-SULFONIC ACID, SODIUM SALT, POLYMER WITH ETHENOL AND ETHENYL ACETA
107568-10-5
17,238
prop-2-ene-1-sulfonic acid
C=CCS(=O)(=O)O
InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)
UIIIBRHUICCMAI-UHFFFAOYSA-N
C3H6O3S
122.15
122.003765
-0.2
62.8
138
0
1
3
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-[(HYDROXYMETHYL)AMINO]ETHANOL
null
61,929
2-(hydroxymethylamino)ethanol
C(CO)NCO
InChI=1S/C3H9NO2/c5-2-1-4-3-6/h4-6H,1-3H2
NWPCFCBFUXXJIE-UHFFFAOYSA-N
C3H9NO2
91.11
91.063329
-1.5
52.5
24
0
3
3
3
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PROPIONIC ACID
000079-09-4
1,032
propanoic acid
CCC(=O)O
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
XBDQKXXYIPTUBI-UHFFFAOYSA-N
C3H6O2
74.08
74.036779
0.3
37.3
40
0
1
2
1
5
130 °F (NTP, 1992)
285.3 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
OCTANOIC ACID, NICKEL(2+) SALT
004995-91-9
168,988
nickel(2+);bis(octanoate)
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]
InChI=1S/2C8H16O2.Ni/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
DVTHIMLUHWEZOM-UHFFFAOYSA-L
C16H30NiO4
345.1
344.149751
null
80.3
83
0
0
4
10
21
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
DICHLOROACETYL CHLORIDE
000079-36-7
6,593
2,2-dichloroacetyl chloride
C(C(=O)Cl)(Cl)Cl
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
FBCCMZVIWNDFMO-UHFFFAOYSA-N
C2HCl3O
147.38
145.909298
2.1
17.1
59
0
0
1
1
6
151 °F (NTP, 1992)
225 to 226 °F at 760 mmHg (NTP, 1992)
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PROPANOIC ANHYDRIDE
000123-62-6
31,263
propanoyl propanoate
CCC(=O)OC(=O)CC
InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
WYVAMUWZEOHJOQ-UHFFFAOYSA-N
C6H10O3
130.14
130.062994
0.8
43.4
103
0
0
3
4
9
145 °F (USCG, 1999)
336 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ACETYL BROMIDE
000506-96-7
10,482
acetyl bromide
CC(=O)Br
InChI=1S/C2H3BrO/c1-2(3)4/h1H3
FXXACINHVKSMDR-UHFFFAOYSA-N
C2H3BrO
122.95
121.93673
0.8
17.1
33
0
0
1
0
4
110 °C (230 °F) - closed cup
169 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM SULFIDE
001312-73-8
162,263
dipotassium;sulfide
[S-2].[K+].[K+]
InChI=1S/2K.S/q2*+1;-2
DPLVEEXVKBWGHE-UHFFFAOYSA-N
K2S
110.26
109.899484
null
1
0
0
0
1
0
3
null
null
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM POLYSULFIDE
037199-66-9
5,362,529
potassium sulfane
S.[K+]
InChI=1S/K.H2S/h;1H2/q+1;
ZOCLAPYLSUCOGI-UHFFFAOYSA-N
H2KS+
73.18
72.951428
null
1
0
1
1
1
0
2
null
null
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0