Anonymous-07/SafeChem · Datasets at Hugging Face

Platinum (II), bis(dimethylsulfinyl)dichloro-, cis-

22840-91-1

3,035,418

methylsulfinylmethane;platinum(2+);dichloride

CS(=O)C.CS(=O)C.[Cl-].[Cl-].[Pt+2]

InChI=1S/2C2H6OS.2ClH.Pt/c2*1-4(2)3;;;/h2*1-2H3;2*1H;/q;;;;+2/p-2

KDADQDWVKZJTDQ-UHFFFAOYSA-L

C4H12Cl2O2PtS2

422.3

420.930372

null

72.6

29

0

6

0

11

null

0

1

0

1

0

1

Acetic acid, (ethylenedinitrilo)tetra-, disodium lead salt

22904-40-1

44,630,275

disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;lead(2+)

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Pb+2]

InChI=1S/C10H16N2O8.2Na.Pb/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4

BIYQFSIBOJWRMG-UHFFFAOYSA-J

C10H12N2Na2O8Pb

541

542.01556

null

167

293

0

10

7

23

null

1

0

1

0

1

0

1

0

3,6,9,12,15-Pentaoxapentacosan-1-ol

23244-49-7

168,092

2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

CCCCCCCCCCOCCOCCOCCOCCOCCO

InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3

QAXPOSPGRHYIHE-UHFFFAOYSA-N

C20H42O6

378.5

378.298139

3.4

66.4

240

0

1

6

23

26

null

0

1

0

1

0

1

Pseudourea, 2-(3-(dimethylamino)propyl)-2-thio-, dihydrochloride

23256-33-9

24,871,266

3-(dimethylamino)propyl carbamimidothioate;hydrochloride

CN(C)CCCSC(=N)N.Cl

InChI=1S/C6H15N3S.ClH/c1-9(2)4-3-5-10-6(7)8;/h3-5H2,1-2H3,(H3,7,8);1H

XFELLTMDCGRCBW-UHFFFAOYSA-N

C6H16ClN3S

197.73

197.075346

null

78.4

103

0

3

5

11

null

0

1

0

1

0

1

Urea, 1,1-bis(2-hydroxyethyl)-

23270-55-5

98,687

1,1-bis(2-hydroxyethyl)urea

C(CO)N(CCO)C(=O)N

InChI=1S/C5H12N2O3/c6-5(10)7(1-3-8)2-4-9/h8-9H,1-4H2,(H2,6,10)

BQMXKMPREFOYHS-UHFFFAOYSA-N

C5H12N2O3

148.16

148.084792

-2.2

86.8

101

0

3

4

10

null

0

1

0

1

0

1

0

1

Crotonamide

23350-58-5

5,354,487

(E)-but-2-enamide

C/C=C/C(=O)N

InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+

NQQRXZOPZBKCNF-NSCUHMNNSA-N

C4H7NO

85.1

85.052764

0

43.1

75

0

1

6

null

0

1

0

1

0

1

Zinc permangante

23414-72-4

31,896

zinc dipermanganate

[O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Zn+2]

InChI=1S/2Mn.8O.Zn/q;;;;;;;;2*-1;+2

GDWLSAUXTXZYNK-UHFFFAOYSA-N

Mn2O8Zn

303.3

301.764545

null

149

95

0

8

0

11

null

0

1

0

Guanidine, octadecyl-, hydrochloride

23604-21-9

71,436,262

2-octadecylguanidine;hydrochloride

CCCCCCCCCCCCCCCCCCN=C(N)N.Cl

InChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H

WPUFMGPAQNCUGT-UHFFFAOYSA-N

C19H42ClN3

348

347.306726

null

64.4

235

0

3

1

17

23

null

0

1

0

1

0

1

Propionic acid, 2-hydrazino-, ethyl ester, hydrochloride, DL-

24292-02-2

212,483

ethyl 2-hydrazinylpropanoate;hydrochloride

CCOC(=O)C(C)NN.Cl

InChI=1S/C5H12N2O2.ClH/c1-3-9-5(8)4(2)7-6;/h4,7H,3,6H2,1-2H3;1H

JCXYGMSGSQLAHF-UHFFFAOYSA-N

C5H13ClN2O2

168.62

168.066555

null

64.4

95

0

3

4

10

null

0

1

0

1

0

1

0

1

Acetic acid, thiodi-, bis(2-ethylhexyl) ester

24293-43-4

91,160

2-ethylhexyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate

CCCCC(CC)COC(=O)CSCC(=O)OCC(CC)CCCC

InChI=1S/C20H38O4S/c1-5-9-11-17(7-3)13-23-19(21)15-25-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3

KYWZILPIDASSGE-UHFFFAOYSA-N

C20H38O4S

374.6

374.249081

7

77.9

315

0

5

18

25

null

0

1

0

Isovaleric acid, hydrazide

24310-18-7

32,283

3-methylbutanehydrazide

CC(C)CC(=O)NN

InChI=1S/C5H12N2O/c1-4(2)3-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)

OQNKZWDYYSHLPO-UHFFFAOYSA-N

C5H12N2O

116.16

116.094963

-0.3

55.1

80

0

2

8

null

0

1

0

1

0

1

0

1

Glycine, N-methyl-N-(phosphonomethyl)-

24569-83-3

541,499

2-[methyl(phosphonomethyl)amino]acetic acid

CN(CC(=O)O)CP(=O)(O)O

InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)

SGVDYFNFBJGOHB-UHFFFAOYSA-N

C4H10NO5P

183.1

183.029659

-4.2

98.1

187

0

3

6

4

11

null

0

1

0

Carbamic acid, (3-(dimethylamino)propyl)-, propyl ester

24579-73-5

32,490

propyl N-[3-(dimethylamino)propyl]carbamate

CCCOC(=O)NCCCN(C)C

InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)

WZZLDXDUQPOXNW-UHFFFAOYSA-N

C9H20N2O2

188.27

188.152478

1.2

41.6

138

0

1

3

7

13

>100 °C (>212 °F)

BP: 139-141 °C at 18 mm Hg

0

1

0

Zirconyl sodium sulphate

24735-35-1

168,200

disodium;oxozirconium(2+);disulfate

[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O=[Zr+2].[Na+].[Na+]

InChI=1S/2Na.2H2O4S.O.Zr/c;;2*1-5(2,3)4;;/h;;2*(H2,1,2,3,4);;/q2*+1;;;;+2/p-4

WPHDGHITMACHAL-UHFFFAOYSA-J

Na2O9S2Zr

345.3

343.782611

null

194

64

0

9

0

14

null

0

1

0

1

Ethane, 1-chloro-2-(ethylsulfonyl)-

25027-40-1

101,406

1-chloro-2-ethylsulfonylethane

CCS(=O)(=O)CCCl

InChI=1S/C4H9ClO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3

SSZGZNMFUXOAFG-UHFFFAOYSA-N

C4H9ClO2S

156.63

156.001178

0.6

42.5

133

0

2

3

8

null

0

1

0

Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy)-

25080-18-6

32,783

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane

C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)F

InChI=1S/C9F19IO/c10-1(11,3(14,15)8(25,26)29)2(12,13)4(16,17)9(27,28)30-5(18,6(19,20)21)7(22,23)24

LFJNSTDXWXWXRL-UHFFFAOYSA-N

C9F19IO

611.97

611.86905

7.5

9.2

615

0

20

7

30

null

0

1

0

1

0

1

Acetic acid, nitrosiminodi-

25081-31-6

32,784

2-[carboxymethyl(nitroso)amino]acetic acid

C(C(=O)O)N(CC(=O)O)N=O

InChI=1S/C4H6N2O5/c7-3(8)1-6(5-11)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)

XLYVHYXTFHZCNY-UHFFFAOYSA-N

C4H6N2O5

162.1

162.027671

-0.6

107

163

0

2

7

4

11

null

0

1

0

1

0

1

0

1

0

1

1-Propanol, 3-nitro-

25182-84-7

32,832

3-nitropropan-1-ol

C(C[N+](=O)[O-])CO

InChI=1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2

YISPKQZWSIMXMX-UHFFFAOYSA-N

C3H7NO3

105.09

105.042593

-0.3

66.1

57

0

1

3

2

7

null

0

1

0

1

0

1

0

1

Butane, 1,1,2,3,4,4-hexachloro-

25237-06-3

32,852

1,1,2,3,4,4-hexachlorobutane

C(C(C(Cl)Cl)Cl)(C(Cl)Cl)Cl

InChI=1S/C4H4Cl6/c5-1(3(7)8)2(6)4(9)10/h1-4H

SFLXALQSXXPXLU-UHFFFAOYSA-N

C4H4Cl6

264.8

263.841466

4.2

0

79

0

3

10

null

0

1

0

Acetic acid, (ethylenedinitrilo)tetra-, nickel(II) complex

25481-21-4

33,009

2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;nickel(2+)

C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ni+2]

InChI=1S/C10H16N2O8.Ni/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2

HTLPAEWBUABNNS-UHFFFAOYSA-L

C10H14N2NiO8

348.92

348.010357

null

161

336

0

2

10

9

21

null

0

1

0

1

0

Carbonic acid, dithio-, S-carboxymethyl O-ethyl ester

25554-84-1

33,055

2-ethoxycarbothioylsulfanylacetic acid

CCOC(=S)SCC(=O)O

InChI=1S/C5H8O3S2/c1-2-8-5(9)10-3-4(6)7/h2-3H2,1H3,(H,6,7)

CZLONQRTHUAGMG-UHFFFAOYSA-N

C5H8O3S2

180.2

179.991487

1.6

104

135

0

1

5

10

null

0

1

0

1

0

Distannoxane, hexapentyl-

25637-27-8

16,684,179

tripentyl(tripentylstannyloxy)stannane

CCCCC[Sn](CCCCC)(CCCCC)O[Sn](CCCCC)(CCCCC)CCCCC

InChI=1S/6C5H11.O.2Sn/c6*1-3-5-4-2;;;/h6*1,3-5H2,2H3;;;

MNFUDUQONWPBMD-UHFFFAOYSA-N

C30H66OSn2

680.3

680.31518

null

9.2

310

0

1

26

33

null

1

0

1

0

Propionitrile, 3-amino-N,N-dibutyl-

25726-99-2

33,155

3-(dibutylamino)propanenitrile

CCCCN(CCCC)CCC#N

InChI=1S/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3

XNHGXTPCDNEDCH-UHFFFAOYSA-N

C11H22N2

182.31

182.178299

2.5

27

137

0

2

8

13

null

0

1

0

1

0

1

Trimethylamine, compd. with iodoborane (1:1)

25741-81-5

421,435

iodo-(trimethylazaniumyl)boranuide

[BH2-]([N+](C)(C)C)I

InChI=1S/C3H11BIN/c1-6(2,3)4-5/h4H2,1-3H3

SFHGHLCHPWEMBO-UHFFFAOYSA-N

C3H11BIN

198.84

199.00293

null

0

40

0

1

6

null

0

1

0

1-Propanol, 2-methyl-2-(methylsulfonyl)-

25841-38-7

213,238

2-methyl-2-methylsulfonylpropan-1-ol

CC(C)(CO)S(=O)(=O)C

InChI=1S/C5H12O3S/c1-5(2,4-6)9(3,7)8/h6H,4H2,1-3H3

VGTHOALDAXYSSP-UHFFFAOYSA-N

C5H12O3S

152.21

152.050715

-0.5

62.8

173

0

1

3

2

9

null

0

1

0

1

0

1

0

1

Propionic acid, 2-methyl-2-(methylsulfonyl)-

25841-43-4

213,240

2-methyl-2-methylsulfonylpropanoic acid

CC(C)(C(=O)O)S(=O)(=O)C

InChI=1S/C5H10O4S/c1-5(2,4(6)7)10(3,8)9/h1-3H3,(H,6,7)

LVWJRYVSTKPXMQ-UHFFFAOYSA-N

C5H10O4S

166.2

166.02998

-0.2

79.8

231

0

1

4

2

10

null

0

1

0

1

0

1

0

1

L-Alanine, 3-(methylseleno)-

26046-90-2

147,004

(2R)-2-amino-3-methylselanylpropanoic acid

C[Se]C[C@@H](C(=O)O)N

InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

XDSSPSLGNGIIHP-VKHMYHEASA-N

C4H9NO2Se

182.09

182.97985

null

63.3

86

0

2

3

8

null

1

0

1

0

1

0

1

0

Stannane, bis(isooctyloxycarbonylmethylthio)dimethyl-

26636-01-1

22,833,324

6-methylheptyl 2-[dimethyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate

CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C

InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2

IRFPIPNMASANJY-UHFFFAOYSA-L

C22H44O4S2Sn

555.4

556.170305

null

103

405

0

6

20

29

null

0

1

0

1

0

1

0

1

0

2-Butanol, 3-methyl-, methanesulfonate

26943-74-8

147,156

3-methylbutan-2-yl methanesulfonate

CC(C)C(C)OS(=O)(=O)C

InChI=1S/C6H14O3S/c1-5(2)6(3)9-10(4,7)8/h5-6H,1-4H3

HREPGPGLHZOQGE-UHFFFAOYSA-N

C6H14O3S

166.24

166.066366

1.4

51.8

176

0

3

10

null

0

1

0

1

0

1

0

1

0

1

1,6-Hexanediamine, N,N,N',N'-tetrabutyl-

27090-63-7

94,377

N,N,N',N'-tetrabutylhexane-1,6-diamine

CCCCN(CCCC)CCCCCCN(CCCC)CCCC

InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3

UPPIBFVZIFKMFO-UHFFFAOYSA-N

C22H48N2

340.6

340.38175

6.7

6.5

190

0

2

19

24

null

0

1

0

1

0

1

0

Arsenious acid, calcium salt

27152-57-4

33,719

tricalcium diarsorite

[O-][As]([O-])[O-].[O-][As]([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI=1S/2AsO3.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2

MHUYNKTVRSCHBE-UHFFFAOYSA-N

As2Ca3O6

366.07

365.70045

null

138

8

0

6

0

11

null

0

1

0

1

0

1

0

1

0

1

0

1

0

1

2-Butanone, 3-ethoxy-1,1-dihydroxy-

27762-78-3

34,006

3-ethoxy-1,1-dihydroxybutan-2-one

CCOC(C)C(=O)C(O)O

InChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3

YRCRRHNVYVFNTM-UHFFFAOYSA-N

C6H12O4

148.16

148.073559

-0.6

66.8

110

0

2

4

10

null

0

1

0

Triethylamine, 2,2'-dichloro-2''-methoxy-, hydrochloride

27807-62-1

119,718

N,N-bis(2-chloroethyl)-2-methoxyethanamine;hydrochloride

COCCN(CCCl)CCCl.Cl

InChI=1S/C7H15Cl2NO.ClH/c1-11-7-6-10(4-2-8)5-3-9;/h2-7H2,1H3;1H

GQXKDGBUUPMWIY-UHFFFAOYSA-N

C7H16Cl3NO

236.6

235.029747

null

12.5

76

0

1

2

7

12

null

0

1

0

Nonanoic acid, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-

27854-30-4

2,776,244

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O

InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)

AAEJJSZYNKXKSW-UHFFFAOYSA-N

C9H5F13O2

392.11

392.008196

4.5

37.3

478

0

1

15

7

24

null

0

1

0

2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E)-

27876-94-4

5,281,232

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid

C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

PANKHBYNKQNAHN-MQQNZMFNSA-N

C20H24O4

328.4

328.167459

5.4

74.6

608

0

2

4

8

24

null

0

1

0

1

0

Ammonium, hexamethylenebis(dimethyldodecyl-, diiodide

27916-23-0

34,061

dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium diiodide

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC.[I-].[I-]

InChI=1S/C34H74N2.2HI/c1-7-9-11-13-15-17-19-21-23-27-31-35(3,4)33-29-25-26-30-34-36(5,6)32-28-24-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2

UEXRNIUHKWUZFJ-UHFFFAOYSA-L

C34H74I2N2

764.8

764.39415

null

0

389

0

2

29

38

null

0

1

0

1

0

1

Ethane, 1-chloro-2-(ethylsulfinyl)-

27998-62-5

214,273

1-chloro-2-ethylsulfinylethane

CCS(=O)CCCl

InChI=1S/C4H9ClOS/c1-2-7(6)4-3-5/h2-4H2,1H3

LIPRCTSGLFLUNJ-UHFFFAOYSA-N

C4H9ClOS

140.63

140.006264

0.2

36.3

64

0

2

3

7

null

0

1

0

1

0

1

0

1

tert-Heptyl alcohol

28929-86-4

12,240

2-methylhexan-2-ol

CCCCC(C)(C)O

InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3

KRIMXCDMVRMCTC-UHFFFAOYSA-N

C7H16O

116.2

116.120115

2

20.2

57

0

1

3

8

null

0

1

0

Acetaldehyde, butoxy-

29043-89-8

114,858

2-butoxyacetaldehyde

CCCCOCC=O

InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3

RPLPGIHCAYAYKX-UHFFFAOYSA-N

C6H12O2

116.16

116.08373

0.9

26.3

52

0

2

5

8

null

0

1

0

1

0

1

0

1

Thiosulfuric acid, S,S'-(2-(dimethylamino)trimethylene)ester, monosodium salt

29547-00-0

23,666,830

sodium 2-(dimethylamino)-1-sulfonatosulfanyl-3-sulfosulfanylpropane

CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+]

InChI=1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);/q;+1/p-1

MBNMHBAJUNHZRE-UHFFFAOYSA-M

C5H12NNaO6S4

333.4

332.944516

null

182

395

0

1

9

7

17

null

0

1

0

1

0

1

0

1

2-Propen-1-ol, 3-chloro-

29560-84-7

91,594

3-chloroprop-2-en-1-ol

C(C=CCl)O

InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2

HJGHXDNIPAWLLE-UHFFFAOYSA-N

C3H5ClO

92.52

92.002893

0.5

20.2

33

0

1

5

null

0

1

0

1

0

1

2-Butanone, 1,1-dibromo-3,3-dimethyl-

30263-65-1

34,866

1,1-dibromo-3,3-dimethylbutan-2-one

CC(C)(C)C(=O)C(Br)Br

InChI=1S/C6H10Br2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

WIPDATICDHNWKG-UHFFFAOYSA-N

C6H10Br2O

257.95

257.90779

3

17.1

113

0

1

2

9

null

0

1

0

1

0

1

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-

30334-69-1

10,958,205

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F

InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)

FUVKFLJWBHVMHX-UHFFFAOYSA-N

C4H2F9NO2S

299.12

298.966253

2.2

68.5

390

0

1

12

3

17

null

0

1

0

1

0

1

0

1

2-Butene, 2,3-bis(bromomethyl)-1,4-dibromo-

30432-16-7

35,343

1,4-dibromo-2,3-bis(bromomethyl)but-2-ene

C(C(=C(CBr)CBr)CBr)Br

InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2

GJZKNORRVIUCCH-UHFFFAOYSA-N

C6H8Br4

399.74

399.73185

3.7

0

92

0

4

10

null

0

1

0

1

0

1

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt

31142-56-0

91,599

aluminum 2-hydroxypropane-1,2,3-tricarboxylate

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Al+3]

InChI=1S/C6H8O7.Al/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3

ZUGAOYSWHHGDJY-UHFFFAOYSA-K

C6H5AlO7

216.08

215.985066

null

141

211

0

1

7

2

14

null

0

1

0

1

0

1

0

1

0

Ethane, 1,1-diethoxy-2,2,2-trifluoro-

31224-45-0

207,952

2,2-diethoxy-1,1,1-trifluoroethane

CCOC(C(F)(F)F)OCC

InChI=1S/C6H11F3O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3

MZCNVEUWTDUFAP-UHFFFAOYSA-N

C6H11F3O2

172.15

172.071114

1.9

18.5

96

0

5

4

11

null

0

1

0

1

0

1

Propylamine, N,2,2-trimethyl-N-nitroso-

31820-22-1

91,603

N-(2,2-dimethylpropyl)-N-methylnitrous amide

CC(C)(C)CN(C)N=O

InChI=1S/C6H14N2O/c1-6(2,3)5-8(4)7-9/h5H2,1-4H3

XEAQPCFJFQRDDZ-UHFFFAOYSA-N

C6H14N2O

130.19

130.110613

1.9

32.7

95

0

3

2

9

null

0

1

0

1

0

1

0

Butanoic acid, 3-methyl-2-(1-methylethyl)-

32118-53-9

96,832

3-methyl-2-propan-2-ylbutanoic acid

CC(C)C(C(C)C)C(=O)O

InChI=1S/C8H16O2/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3,(H,9,10)

GSZKHLKKYPBXKM-UHFFFAOYSA-N

C8H16O2

144.21

144.11503

2.4

37.3

108

0

1

2

3

10

null

0

1

0

1

0

1

Valeraldehyde, 2,3-dimethyl-

32749-94-3

61,917

2,3-dimethylpentanal

CCC(C)C(C)C=O

InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3

BOHKXQAJUVXBDQ-UHFFFAOYSA-N

C7H14O

114.19

114.104465

2.1

17.1

68

0

1

3

8

null

0

1

0

1

0

Acetic acid, cyano-, 2-ethoxyethyl ester

32804-77-6

122,967

2-ethoxyethyl 2-cyanoacetate

CCOCCOC(=O)CC#N

InChI=1S/C7H11NO3/c1-2-10-5-6-11-7(9)3-4-8/h2-3,5-6H2,1H3

UMCLCZMPTREESK-UHFFFAOYSA-N

C7H11NO3

157.17

157.073893

0.2

59.3

158

0

4

6

11

null

0

1

0

1

0

1

0

1,2-Propanediol, 3-fluoro-, L-

32860-39-2

208,702

(2R)-3-fluoropropane-1,2-diol

C([C@H](CF)O)O

InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1

PQDNJBQKAXAXBQ-VKHMYHEASA-N

C3H7FO2

94.08

94.043008

-0.7

40.5

32

0

2

3

2

6

null

0

1

0

1

0

1

1,2-Propanediol, 3-fluoro-, D-

33644-25-6

214,676

(2S)-3-fluoropropane-1,2-diol

C([C@@H](CF)O)O

InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1

PQDNJBQKAXAXBQ-GSVOUGTGSA-N

C3H7FO2

94.08

94.043008

-0.7

40.5

32

0

2

3

2

6

null

0

1

0

1

0

1

Acetonitrile, methylamino-, sulfate

33986-15-1

44,721,378

2-(methylamino)acetonitrile;sulfuric acid

CNCC#N.OS(=O)(=O)O

InChI=1S/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(H2,1,2,3,4)

SEBZVAFMXLJJNO-UHFFFAOYSA-N

C3H8N2O4S

168.17

168.020478

null

119

130

0

3

6

1

10

null

0

1

0

1

0

1

1-Propanol, 3-(dipropylamino)-

34003-67-3

214,730

3-(dipropylamino)propan-1-ol

CCCN(CCC)CCCO

InChI=1S/C9H21NO/c1-3-6-10(7-4-2)8-5-9-11/h11H,3-9H2,1-2H3

HVQPWDRWEZEOCN-UHFFFAOYSA-N

C9H21NO

159.27

159.162314

1.7

23.5

70

0

1

2

7

11

null

0

1

0

1

0

1

Iron sodium gluconate

34089-81-1

23,693,558

sodium;iron(3+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Na+].[Fe+3]

InChI=1S/C6H12O7.Fe.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;/q;+3;+1/p-1/t2-,3-,4+,5-;;/m1../s1

PKNUOQOQWGOWBO-ZBHRUSISSA-M

C6H11FeNaO7+3

273.98

273.975183

null

141

176

3

5

7

5

15

null

0

1

0

1

0

1

Trisulfide, methyl 2-propenyl

34135-85-8

61,926

3-(methyltrisulfanyl)prop-1-ene

CSSSCC=C

InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3

JGMPRNFEEAJLAJ-UHFFFAOYSA-N

C4H8S3

152.3

151.978814

2

75.9

44

0

3

4

7

null

47.00 °C. @ 0.80 mm Hg

0

1

0

1

Acetamide, N-(4-((3-aminopropyl)amino)butyl)-, dihydrochloride

34450-15-2

214,847

N-[4-(3-aminopropylamino)butyl]acetamide;dihydrochloride

CC(=O)NCCCCNCCCN.Cl.Cl

InChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H

BWGUIRARVGYOIR-UHFFFAOYSA-N

C9H23Cl2N3O

260.2

259.121818

null

67.2

128

0

5

3

8

15

null

0

1

0

1

0

1

Butyronitrile, 2-ethyl-2-hydroxy-

34451-66-6

36,832

2-ethyl-2-hydroxybutanenitrile

CCC(CC)(C#N)O

InChI=1S/C6H11NO/c1-3-6(8,4-2)5-7/h8H,3-4H2,1-2H3

QWJRZIUNOYNJIQ-UHFFFAOYSA-N

C6H11NO

113.16

113.084064

1

44

107

0

1

2

8

null

0

1

0

1

0

Hydrazine, ethyl-, sulfate

34638-34-1

36,869

ethylaminoazanium;hydrogen sulfate

CCN[NH3+].OS(=O)(=O)[O-]

InChI=1S/C2H8N2.H2O4S/c1-2-4-3;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)

RVSOJOWYIDLNCV-UHFFFAOYSA-N

C2H10N2O4S

158.18

158.036128

null

125

84

0

3

5

1

9

null

0

1

0

1

0

1

0

2-Butanone, 3-(methylthio)-, O-(N-methylcarbamoyl)oxime

34681-10-2

36,879

(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate

CC(C(=NOC(=O)NC)C)SC

InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)

SFNPDDSJBGRXLW-UHFFFAOYSA-N

C7H14N2O2S

190.27

190.077599

1.2

76

182

0

1

4

12

null

1

0

1

0

2-Butanone, 3-methylsulfonyl-, O-(N-methylcarbamoyl)oxime

34681-23-7

61,938

(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate

CC(C(=NOC(=O)NC)C)S(=O)(=O)C

InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)

CTJBHIROCMPUKL-UHFFFAOYSA-N

C7H14N2O4S

222.26

222.067428

-0.1

93.2

328

0

1

5

4

14

null

0

1

0

2-Propanol, 1-amino-3-chloro-, hydrochloride, (+)-

34839-14-0

87,178,124

(2R)-1-amino-3-chloropropan-2-ol;hydrochloride

C([C@H](CCl)O)N.Cl

InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H/t3-;/m0./s1

ZCPJBHYNOFIAPJ-DFWYDOINSA-N

C3H9Cl2NO

146.01

145.006119

null

46.3

34

0

3

2

7

null

0

1

0

1

0

1

0

1

Valeric acid, 2-(diethylphosphono)-, ethyl ester

35051-49-1

98,244

ethyl 2-diethoxyphosphorylpentanoate

CCCC(C(=O)OCC)P(=O)(OCC)OCC

InChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3

BUPVIVDUPRDDFI-UHFFFAOYSA-N

C11H23O5P

266.27

266.128311

1.8

61.8

257

0

5

10

17

null

0

1

0

1

0

Guanidine, 1-hexyl-3-nitro-1-nitroso-

35089-70-4

37,045

1-hexyl-2-nitro-1-nitrosoguanidine

CCCCCCN(C(=N[N+](=O)[O-])N)N=O

InChI=1S/C7H15N5O3/c1-2-3-4-5-6-11(10-13)7(8)9-12(14)15/h2-6H2,1H3,(H2,8,9)

OKEOKSSXTJTRSL-UHFFFAOYSA-N

C7H15N5O3

217.23

217.117489

2.2

117

237

0

1

5

6

15

null

0

1

0

1

0

Acetic acid, oxydi-, disodium salt

35249-69-5

37,092

disodium;2-(carboxylatomethoxy)acetate

C(C(=O)[O-])OCC(=O)[O-].[Na+].[Na+]

InChI=1S/C4H6O5.2Na/c5-3(6)1-9-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2

IILQHMMTOSAJAR-UHFFFAOYSA-L

C4H4Na2O5

178.05

177.985412

null

89.5

93

0

5

2

11

null

0

1

0

Guanidine, 2-nitro-1-nitroso-1-octyl-

35799-08-7

37,265

2-nitro-1-nitroso-1-octylguanidine

CCCCCCCCN(C(=N[N+](=O)[O-])N)N=O

InChI=1S/C9H19N5O3/c1-2-3-4-5-6-7-8-13(12-15)9(10)11-14(16)17/h2-8H2,1H3,(H2,10,11)

AOZCQGYQFGAKBG-UHFFFAOYSA-N

C9H19N5O3

245.28

245.14879

3.3

117

264

0

1

5

8

17

null

0

1

0

Guanidine, 1-isopentyl-2-nitro-1-nitroso-

35878-48-9

37,296

1-(3-methylbutyl)-2-nitro-1-nitrosoguanidine

CC(C)CCN(C(=N[N+](=O)[O-])N)N=O

InChI=1S/C6H13N5O3/c1-5(2)3-4-10(9-12)6(7)8-11(13)14/h5H,3-4H2,1-2H3,(H2,7,8)

WYFTYNAZEMXYFM-UHFFFAOYSA-N

C6H13N5O3

203.2

203.101839

1.5

117

234

0

1

5

4

14

null

0

1

0

1

0

6-Eicosenoic acid, 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S-(2R*,3S*,4S*,6E))-

35891-70-4

6,438,394

(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid

CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O

InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1

ZZIKIHCNFWXKDY-GNTQXERDSA-N

C21H39NO6

401.5

401.277738

-0.1

141

468

0

5

7

18

28

null

0

1

0

Ethanamine, 2-(decylthio)-, hydrochloride

36362-09-1

151,162

2-decylsulfanylethanamine;hydrochloride

CCCCCCCCCCSCCN.Cl

InChI=1S/C12H27NS.ClH/c1-2-3-4-5-6-7-8-9-11-14-12-10-13;/h2-13H2,1H3;1H

CMOVAZNLWXAJIL-UHFFFAOYSA-N

C12H28ClNS

253.88

253.163099

null

51.3

96

0

2

11

15

null

1

0

1

0

1

0

1

0

Lutetium(III) nitrate, hexahydrate (1:3:6)

36549-50-5

37,480

lutetium(3+);trinitrate;hexahydrate

[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Lu+3]

InChI=1S/Lu.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;

OHGDHCSVOXRLSU-UHFFFAOYSA-N

H12LuN3O15

469.07

468.96762

null

195

18

0

6

15

0

19

null

0

1

0

1

0

1

L-Alanine, 3-((2-hydroxyethyl)dithio)-

38254-63-6

170,018

(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid

C(CSSC[C@@H](C(=O)O)N)O

InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1

YPUBRSXDQSFQBA-BYPYZUCNSA-N

C5H11NO3S2

197.3

197.018036

-3.4

134

122

0

3

6

11

null

0

1

0

1

0

1

0

1

Sulfuric acid, di(butylamine) salt

39085-66-0

217,637

bis(butan-1-amine);sulfuric acid

CCCCN.CCCCN.OS(=O)(=O)O

InChI=1S/2C4H11N.H2O4S/c2*1-2-3-4-5;1-5(2,3)4/h2*2-5H2,1H3;(H2,1,2,3,4)

KCFKHWSNVPJBEP-UHFFFAOYSA-N

C8H24N2O4S

244.36

244.145678

null

135

94

0

4

6

4

15

null

0

1

0

1

0

1

0

1

1-Decanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-

39108-34-4

3,016,044

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid

C(CS(=O)(=O)O)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

InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)

ALVYVCQIFHTIRD-UHFFFAOYSA-N

C10H5F17O3S

528.18

527.968794

5.3

62.8

760

0

1

20

9

31

null

0

1

0

1

0

1

0

2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, O-((methylamino)carbonyl)oxime

39184-27-5

5,491,759

[(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate

CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)C

InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+

NLMRMVVMKCKWFL-YRNVUSSQSA-N

C9H18N2O3S

234.32

234.103814

0.8

87

282

0

1

5

15

null

0

1

0

1

0

2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-((methylamino)carbonyl)oxime

39184-59-3

5,491,760

[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate

CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C

InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+

PZOIECHFNQBYRT-YRNVUSSQSA-N

C9H18N2O4S

250.32

250.098728

0.9

93.2

373

0

1

5

16

null

0

1

0

1

0

Phosphonic acid, (1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-

40143-76-8

15,930,820

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphonic acid

C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI=1S/C6H2F13O3P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)

AGCUFKNHQDVTAD-UHFFFAOYSA-N

C6H2F13O3P

400.03

399.953397

3

57.5

502

0

2

16

5

23

null

0

1

0

1

0

Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-

40391-99-9

4,674

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid

C(CN)C(O)(P(=O)(O)O)P(=O)(O)O

InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)

WRUUGTRCQOWXEG-UHFFFAOYSA-N

C3H11NO7P2

235.07

235.001076

-6.9

161

243

0

6

8

4

13

null

0

1

0

Hydrazine, butyl-, ethanedioate

40711-41-9

162,021

butylhydrazine;oxalic acid

CCCCNN.C(=O)(C(=O)O)O

InChI=1S/C4H12N2.C2H2O4/c1-2-3-4-6-5;3-1(4)2(5)6/h6H,2-5H2,1H3;(H,3,4)(H,5,6)

WXOBLSRQYOWIBF-UHFFFAOYSA-N

C6H14N2O4

178.19

178.095357

null

113

93

0

4

6

4

12

null

0

1

0

1

0

Ammonium, (2-(2-hydroxyethoxy)ethyl)trimethyl-, iodide

41830-55-1

162,490

2-(2-hydroxyethoxy)ethyl-trimethylazanium iodide

C[N+](C)(C)CCOCCO.[I-]

InChI=1S/C7H18NO2.HI/c1-8(2,3)4-6-10-7-5-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1

OHIFSOQCEPPUNY-UHFFFAOYSA-M

C7H18INO2

275.13

275.03823

null

29.5

78

0

1

3

5

11

null

0

1

0

1

0

1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-

41997-13-1

11,603,678

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)

WDZLGCSJJWEQJO-UHFFFAOYSA-N

C6H2F13NO2S

399.13

398.959866

3.5

68.5

556

0

1

16

5

23

null

0

1

0

1

0

1

2,4-Dodecadienoic acid, 3,7,11-trimethyl-, 2-propynyl ester, (E,E)-

42588-37-4

6,434,236

prop-2-ynyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate

CC(C)CCCC(C)C/C=C/C(=C/C(=O)OCC#C)/C

InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+

FZRBKIRIBLNOAM-WHVZTFIZSA-N

C18H28O2

276.4

276.20893

6

26.3

379

0

2

10

20

null

1

0

1

0

1,4-Butanediol, monomethanesulfonate

42729-95-3

39,244

4-hydroxybutyl methanesulfonate

CS(=O)(=O)OCCCCO

InChI=1S/C5H12O4S/c1-10(7,8)9-5-3-2-4-6/h6H,2-5H2,1H3

GGASLDTWAZHIGF-UHFFFAOYSA-N

C5H12O4S

168.21

168.04563

-0.6

72

155

0

1

4

5

10

null

0

1

0

1

0

1

0

1

0

1

0

1

0

1

Propionitrile, dithiodi-

42841-31-6

206,101

3-(2-cyanoethyldisulfanyl)propanenitrile

C(CSSCCC#N)C#N

InChI=1S/C6H8N2S2/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H2

HHEYGEJOMQFDFN-UHFFFAOYSA-N

C6H8N2S2

172.3

172.012891

0.3

98.2

141

0

4

5

10

null

0

1

0

Urea, N-heptyl-

42955-46-4

39,357

heptylurea

CCCCCCCNC(=O)N

InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)

LDNJCDRFTFLQLF-UHFFFAOYSA-N

C8H18N2O

158.24

158.141913

2

55.1

104

0

2

1

6

11

null

0

1

0

Phosphonic acid, (1-hydroxyethylidene)bis-, copper(2+) salt (1:1)

50376-91-5

65,296

copper hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate

CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Cu+2]

InChI=1S/C2H8O7P2.Cu/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+2/p-2

CAJHBQKOVDDMNU-UHFFFAOYSA-L

C2H6CuO7P2

267.56

266.888474

null

141

206

0

3

7

2

12

null

1

0

1

0

1

0

Methanesulfonic acid, 1-methylpropyl ester, (S)-

50599-13-8

149,298

[(2S)-butan-2-yl] methanesulfonate

CC[C@H](C)OS(=O)(=O)C

InChI=1S/C5H12O3S/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3/t5-/m0/s1

BQWQGEBNCNNFCI-YFKPBYRVSA-N

C5H12O3S

152.21

152.050715

1

51.8

154

0

3

9

null

0

1

0

1

0

1

0

1

Thiopyrophosphoric acid, tetramethyl ester

51120-35-5

102,579,137

dimethoxyphosphinothioyloxy-dimethoxy-sulfanylidene-lambda5-phosphane

COP(=S)(OC)OP(=S)(OC)OC

InChI=1S/C4H12O5P2S2/c1-5-10(12,6-2)9-11(13,7-3)8-4/h1-4H3

XKBNJDRCYDBEAH-UHFFFAOYSA-N

C4H12O5P2S2

266.2

265.96014

2.4

110

205

0

7

6

13

null

1

0

1

0

L-Ornithine, N(sup 5)-(imino(nitroamino)methyl)-, methyl ester, hydrochloride

51298-62-5

135,193

methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate;hydrochloride

COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.Cl

InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m0./s1

QBNXAGZYLSRPJK-JEDNCBNOSA-N

C7H16ClN5O4

269.69

269.089082

null

149

274

0

4

6

7

17

null

0

1

0

1

0

1

2-Tetradecenal, (2E)-

51534-36-2

5,283,366

(E)-tetradec-2-enal

CCCCCCCCCCC/C=C/C=O

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+

WHOZNOZYMBRCBL-OUKQBFOZSA-N

C14H26O

210.36

210.198365

5.9

17.1

149

0

1

11

15

null

299.00 to 300.00 °C. @ 760.00 mm Hg

0

1

0

1

0

Glycine, N-(aminothioxomethyl)-

51675-47-9

3,040,094

2-(carbamothioylamino)acetic acid

C(C(=O)O)NC(=S)N

InChI=1S/C3H6N2O2S/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)

KIESEUTUOQOHLE-UHFFFAOYSA-N

C3H6N2O2S

134.16

134.014999

-0.8

107

114

0

3

2

8

null

0

1

0

1

0

Thiosulfuric acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, disodium salt

52207-48-4

162,117

disodium;2-(dimethylamino)-1,3-bis(sulfonatosulfanyl)propane

CN(C)C(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+]

InChI=1S/C5H13NO6S4.2Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2

QSOHVSNIQHGFJU-UHFFFAOYSA-L

C5H11NNa2O6S4

355.4

354.92646

null

185

327

0

9

5

18

null

0

1

0

1

0

Hydrazine, allyl-, monohydrochloride

52207-83-7

171,127

prop-2-enylhydrazine;hydrochloride

C=CCNN.Cl

InChI=1S/C3H8N2.ClH/c1-2-3-5-4;/h2,5H,1,3-4H2;1H

PWGPATVPEGLIAN-UHFFFAOYSA-N

C3H9ClN2

108.57

108.045426

null

38.1

26

0

3

2

6

null

0

1

0

1

0

1

0

1

0

1-Propylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride

52801-93-1

3,040,665

2-chloro-N-(2-chloroethyl)propan-1-amine;hydrochloride

CC(CNCCCl)Cl.Cl

InChI=1S/C5H11Cl2N.ClH/c1-5(7)4-8-3-2-6;/h5,8H,2-4H2,1H3;1H

RBUMFOHMOVLYLD-UHFFFAOYSA-N

C5H12Cl3N

192.5

191.003532

null

12

49

0

2

1

4

9

null

0

1

0

1

0

1

0

1

Propanoic acid, 2-ethoxy-

53103-75-6

15,268,841

2-ethoxypropanoic acid

CCOC(C)C(=O)O

InChI=1S/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

XBHQOMRKOUANQQ-UHFFFAOYSA-N

C5H10O3

118.13

118.062994

0.4

46.5

79

0

1

3

8

null

0

1

0

1

0

2-Propanol, 1-methoxy-3-(1-methylethoxy)-

53146-34-2

231,388

1-methoxy-3-propan-2-yloxypropan-2-ol

CC(C)OCC(COC)O

InChI=1S/C7H16O3/c1-6(2)10-5-7(8)4-9-3/h6-8H,4-5H2,1-3H3

OSPAIDSTZHWQPG-UHFFFAOYSA-N

C7H16O3

148.2

148.109944

0.1

38.7

73

0

1

3

5

10

null

0

1

0

1

0

1

Crotonaldehyde, 2-chloro-

53175-28-3

5,355,510

(Z)-2-chlorobut-2-enal

C/C=C(/C=O)\Cl

InChI=1S/C4H5ClO/c1-2-4(5)3-6/h2-3H,1H3/b4-2-

GMUIHGWBQIUCST-RQOWECAXSA-N

C4H5ClO

104.53

104.002893

1.4

17.1

75

0

1

6

null

1

0

1

0

1

0

1

Propylamine, 1,2,2-trimethyl-, hydrochloride

53561-77-6

3,041,170

3,3-dimethylbutan-2-amine;hydrochloride

CC(C(C)(C)C)N.Cl

InChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H

DDRXUCIAWFPHKZ-UHFFFAOYSA-N

C6H16ClN

137.65

137.097127

null

26

51

0

2

1

8

null

0

1

0

1

0

1

0

1

Dipropylamine, 2,2'-dihydroxy-N-nitroso-

53609-64-6

40,828

N,N-bis(2-hydroxypropyl)nitrous amide

CC(CN(CC(C)O)N=O)O

InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

MNIGYIKCFSPQRJ-UHFFFAOYSA-N

C6H14N2O3

162.19

162.100442

-0.3

73.1

110

0

2

5

4

11

null

0

1

0

1

0

1

0

1

0

Undecanoic acid, 11-(chlorodimethylsilyl)-, methyl ester

53749-38-5

2,757,369

methyl 11-[chloro(dimethyl)silyl]undecanoate

COC(=O)CCCCCCCCCC[Si](C)(C)Cl

InChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3

ZTVPSFFFPDOOLA-UHFFFAOYSA-N

C14H29ClO2Si

292.91

292.162534

null

26.3

220

0

2

12

18

null

0

1

0

1

Dibutylamine, compd. with hexafluorophosphate

53770-27-7

40,892

N-butylbutan-1-amine hexafluorophosphate

CCCCNCCCC.F[P-](F)(F)(F)(F)F

InChI=1S/C8H19N.F6P/c1-3-5-7-9-8-6-4-2;1-7(2,3,4,5)6/h9H,3-8H2,1-2H3;/q;-1

UFTCLBFPWIBWFD-UHFFFAOYSA-N

C8H19F6NP-

274.21

274.115931

null

12

101

-1

1

8

6

16

null

0

1

0