Anonymous-07/SafeChem · Datasets at Hugging Face

Guanidine, 3-nitro-1-nitroso-1-propyl-

13010-07-6

135,448,158

3-nitro-1-nitroso-1-propylguanidine

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

InChI=1S/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)

PVVCHFOAZOVDRK-UHFFFAOYSA-N

C4H9N5O3

175.15

175.070539

1

114

188

0

2

5

4

12

null

0

1

0

1

0

1

0

1

0

1

0

1

Guanidine, 1-butyl-3-nitro-1-nitroso-

13010-08-7

135,464,373

1-butyl-3-nitro-1-nitrosoguanidine

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

InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)

FJNCPBNCTRDXFB-UHFFFAOYSA-N

C5H11N5O3

189.17

189.086189

1.3

114

201

0

2

5

13

null

0

1

0

1

0

1

0

1

0

1

Urea, N-nitroso-

13010-20-3

105,035

nitrosourea

C(=O)(N)NN=O

InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)

OSTGTTZJOCZWJG-UHFFFAOYSA-N

CH3N3O2

89.05

89.022526

-0.8

84.6

69

0

2

3

0

6

null

0

1

0

1

0

1

0

1

0

Butyric acid, 4-nitro-, methyl ester

13013-02-0

25,604

methyl 4-nitrobutanoate

COC(=O)CCC[N+](=O)[O-]

InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3

UBSPKGKFFQKZJB-UHFFFAOYSA-N

C5H9NO4

147.13

147.053158

0.6

72.1

128

0

4

10

null

0

1

0

1

0

1

Carbonic acid, bis(2-isocyanatoethyl) ester

13025-29-1

25,619

bis(2-isocyanatoethyl) carbonate

C(COC(=O)OCCN=C=O)N=C=O

InChI=1S/C7H8N2O5/c10-5-8-1-3-13-7(12)14-4-2-9-6-11/h1-4H2

DZYFUUQMKQBVBY-UHFFFAOYSA-N

C7H8N2O5

200.15

200.043321

2.1

94.4

239

0

7

8

14

null

0

1

0

1

0

1

0

1

2-Pentanone, 3-chloro-5-hydroxy-, acetate

13051-49-5

114,447

(3-chloro-4-oxopentyl) acetate

CC(=O)C(CCOC(=O)C)Cl

InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3

LQKQGYIKTRJVJF-UHFFFAOYSA-N

C7H11ClO3

178.61

178.039672

0.9

43.4

156

0

3

5

11

null

0

1

0

1

0

1

0

1

Malononitrile, dichloro-

13063-43-9

25,660

2,2-dichloropropanedinitrile

C(#N)C(C#N)(Cl)Cl

InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7

NCWGPYPDPWOJKC-UHFFFAOYSA-N

C3Cl2N2

134.95

133.943853

1.1

47.6

136

0

2

0

7

null

0

1

0

1

0

1

0

1

Ethanol, 2-(ethylnitrosamino)-

13147-25-6

25,742

N-ethyl-N-(2-hydroxyethyl)nitrous amide

CCN(CCO)N=O

InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3

HNQBPUIXFDQDRJ-UHFFFAOYSA-N

C4H10N2O2

118.13

118.074228

-0.1

52.9

67

0

1

4

3

8

null

0

1

0

1

0

L-Aspartic acid, N-(aminocarbonyl)-

13184-27-5

93,072

(2S)-2-(carbamoylamino)butanedioic acid

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

InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1

HLKXYZVTANABHZ-REOHCLBHSA-N

C5H8N2O5

176.13

176.043321

-1.9

130

214

0

4

5

4

12

null

0

1

0

1

0

1

Plumbane dichlorodiethyl-

13231-90-8

316,526

dichloro(diethyl)plumbane

CC[Pb](CC)(Cl)Cl

InChI=1S/2C2H5.2ClH.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2

LXKLAFGSADZFAV-UHFFFAOYSA-L

C4H10Cl2Pb

336

335.99261

null

0

47

0

2

7

null

1

0

1

0

1

0

1

0

Dipentylamine, N-nitroso-

13256-06-9

252,237

N,N-dipentylnitrous amide

CCCCCN(CCCCC)N=O

InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3

OELWBYBVFOLSTA-UHFFFAOYSA-N

C10H22N2O

186.29

186.173213

3.7

32.7

107

0

3

8

13

null

295 °F at 12 mmHg (NTP, 1992)

0

1

0

1

0

1

0

1

0

1

Pentylamine, N-methyl-N-nitroso-

13256-07-0

25,805

N-methyl-N-pentylnitrous amide

CCCCCN(C)N=O

InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3

KSFCDINBDBFFSI-UHFFFAOYSA-N

C6H14N2O

130.19

130.110613

2

32.7

75

0

3

4

9

null

0

1

0

1

0

1

0

Ethylenediamine, N,N'-dimethyl-N,N'-dinitroso-

13256-12-7

25,806

N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide

CN(CCN(C)N=O)N=O

InChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3

YHIARNFLMZPJGR-UHFFFAOYSA-N

C4H10N4O2

146.15

146.080376

0.2

65.3

104

0

6

3

10

null

0

1

0

1

0

1

0

Plumbane, acetoxytripropyl-

13266-07-4

16,683,283

tripropylplumbyl acetate

CCC[Pb](CCC)(CCC)OC(=O)C

InChI=1S/3C3H7.C2H4O2.Pb/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1

QBXGDVRBHWSCMI-UHFFFAOYSA-M

C11H24O2Pb

395

396.15428

null

26.3

152

0

2

8

14

null

1

0

1

0

1

0

1

0

2-Butyn-1-ol, 4-chloro-

13280-07-4

202,775

4-chlorobut-2-yn-1-ol

C(C#CCCl)O

InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2

RPUJAOFSZSEVPC-UHFFFAOYSA-N

C4H5ClO

104.53

104.002893

0.7

20.2

76

0

1

0

6

null

0

1

0

1

0

1

0

1

Carbamic chloride, 1,6-dibutyl-

13358-73-1

83,371

N,N-dibutylcarbamoyl chloride

CCCCN(CCCC)C(=O)Cl

InChI=1S/C9H18ClNO/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3

OSWBZCCZJXCOGL-UHFFFAOYSA-N

C9H18ClNO

191.7

191.107692

3.3

20.3

120

0

1

6

12

null

0

1

0

1

0

Acetic acid, cyano-, hexyl ester

13361-53-0

25,920

hexyl 2-cyanoacetate

CCCCCCOC(=O)CC#N

InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3

PWKKBTPSCGLYBR-UHFFFAOYSA-N

C9H15NO2

169.22

169.110279

2.3

50.1

169

0

3

7

12

null

0

1

0

1

0

1

0

1

2-Butene, 1-chloro-2-methyl-

13417-43-1

5,365,904

(E)-1-chloro-2-methylbut-2-ene

C/C=C(\C)/CCl

InChI=1S/C5H9Cl/c1-3-5(2)4-6/h3H,4H2,1-2H3/b5-3+

ZAJKEDQTROWDDD-HWKANZROSA-N

C5H9Cl

104.58

104.039278

2.3

0

55

0

1

6

null

0

1

0

1

0

1

0

1

0

Magnesium thiosulfate hexahydrate

13446-30-5

26,002

magnesium;dioxido-oxo-sulfanylidene-lambda6-sulfane;hexahydrate

O.O.O.O.O.O.[O-]S(=O)(=S)[O-].[Mg+2]

InChI=1S/Mg.H2O3S2.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2

CQDMJJVHDPDPHO-UHFFFAOYSA-L

H12MgO9S2

244.5

243.977316

null

110

82

0

6

10

0

12

null

0

1

0

1

0

1

Butanenitrile, 2,2'-azobis(2-methyl-

13472-08-7

93,079

2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile

CCC(C)(C#N)N=NC(C)(CC)C#N

InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3

AVTLBBWTUPQRAY-UHFFFAOYSA-N

C10H16N4

192.26

192.137497

2.4

72.3

284

0

4

14

null

0

1

0

1

0

1

0

1

0

1

0

Butyric acid, 4-amino-2-hydroxy-

13477-53-7

26,062

4-amino-2-hydroxybutanoic acid

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

InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)

IVUOMFWNDGNLBJ-UHFFFAOYSA-N

C4H9NO3

119.12

119.058243

-3.7

83.6

83

0

3

4

3

8

null

0

1

0

1

0

1

Nitric acid, beryllium salt, tetrahydrate

13510-48-0

26,076

beryllium;dinitrate;tetrahydrate

[Be+2].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O

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

SIJGTOZRLHNHJK-UHFFFAOYSA-N

BeH8N2O10

205.08

205.030078

null

130

18

0

4

10

0

13

null

0

1

0

1

0

1

2-Butenoic acid, 3-amino-, thiodi-2,1-ethanediyl ester

13560-49-1

6,437,822

2-[2-[(E)-3-aminobut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-3-aminobut-2-enoate

C/C(=C\C(=O)OCCSCCOC(=O)/C=C(/C)\N)/N

InChI=1S/C12H20N2O4S/c1-9(13)7-11(15)17-3-5-19-6-4-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7-,10-8+

GZVBGWRBVGVPLI-FKJILZIQSA-N

C12H20N2O4S

288.37

288.114378

1.6

130

333

0

2

7

10

19

null

0

1

0

Vanadate(3-), hexafluoro-, triammonium salt

13815-31-1

203,094

triazanium;vanadium;hexafluoride

[NH4+].[NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[V]

InChI=1S/6FH.3H3N.V/h6*1H;3*1H3;/p-3

PURSFTZXXIKJST-UHFFFAOYSA-K

F6H12N3V-3

219.05

219.037499

null

3

0

-3

3

6

0

10

null

0

1

0

1

0

Platinate (1-), amminetrichloro-, potassium

13820-91-2

11,810,450

potassium;azane;trichloroplatinum(1-)

N.Cl[Pt-](Cl)Cl.[K+]

InChI=1S/3ClH.K.H3N.Pt/h3*1H;;1H3;/q;;;+1;;+2/p-3

PIFYEDQIQOTXLO-UHFFFAOYSA-K

Cl3H3KNPt

357.6

355.861608

null

1

8

0

1

2

0

6

null

0

1

0

1

0

1

0

1

0

1

0

1

0

1

Methanesulfinothioic acid, S-methyl ester

13882-12-7

95,200

methylsulfinylsulfanylmethane

CSS(=O)C

InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3

RRGUMJYEQDVBFP-UHFFFAOYSA-N

C2H6OS2

110.2

109.986007

-0.1

61.6

42

0

3

1

5

null

0

1

0

Butyronitrile, 2-amino-2,3-dimethyl-

13893-53-3

94,355

2-amino-2,3-dimethylbutanenitrile

CC(C)C(C)(C#N)N

InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3

CAOHBROWLMCZRP-UHFFFAOYSA-N

C6H12N2

112.17

112.100048

0.6

49.8

120

0

1

2

1

8

null

1

0

1

0

Nickel, bis(dibutyldithiocarbamato)-

13927-77-0

6,101,499

bis(N,N-dibutylcarbamodithioate);nickel(2+)

CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]

InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2

HPOWMHUJHHIQGP-UHFFFAOYSA-L

C18H36N2NiS4

467.5

466.111476

null

72.7

112

0

4

12

25

null

0

1

0

Chromium(3+), tris(1,2-ethanediamine-N,N')-, trichloride, (OC-6-11)-

14023-00-8

166,980

chromium(3+);tris(ethane-1,2-diamine);trichloride

C(CN)N.C(CN)N.C(CN)N.[Cl-].[Cl-].[Cl-].[Cr+3]

InChI=1S/3C2H8N2.3ClH.Cr/c3*3-1-2-4;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3

LIUCHLNHBFTPDJ-UHFFFAOYSA-K

C6H24Cl3CrN6

338.6

337.053308

null

156

6

0

6

9

3

16

null

0

1

0

1

0

1

Manganate(3-), hexacyano-, tripotassium

14023-90-6

26,400

tripotassium;manganese;hexacyanide

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Mn]

InChI=1S/6CN.3K.Mn/c6*1-2;;;;/q6*-1;3*+1;

LZBBTZQCVXSUJB-UHFFFAOYSA-N

C6K3MnN6-3

328.34

327.847607

null

143

127

-3

0

12

0

16

null

0

1

0

Platinate(2-), tetrakis(thiocyanato)-, dipotassium

14244-61-2

71,311,417

dipotassium;platinum(2+);tetrathiocyanate

C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[K+].[K+].[Pt+2]

InChI=1S/4CHNS.2K.Pt/c4*2-1-3;;;/h4*3H;;;/q;;;;2*+1;+2/p-4

HFSDIGGSMJDZEA-UHFFFAOYSA-J

C4K2N4PtS4

505.6

504.792788

null

99.2

186

0

8

0

15

null

0

1

0

1

0

1

0

1

Zincate(2-), tetracyano-, dipotassium

14244-62-3

61,720

dipotassium;zinc;tetracyanide

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Zn+2]

InChI=1S/4CN.2K.Zn/c4*1-2;;;/q4*-1;2*+1;+2

BQNXRYOAGXEBSH-UHFFFAOYSA-N

C4K2N4Zn

247.6

245.868851

null

95.2

76

0

8

0

11

null

1

0

1

0

Potassium, oxalatoplatinate, dihydrate

14244-64-5

56,841,024

dipotassium;oxalate;platinum(2+);dihydrate

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

InChI=1S/2C2H2O4.2K.2H2O.Pt/c2*3-1(4)2(5)6;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;/q;;2*+1;;;+2/p-4

OOFIORZMOKMUAK-UHFFFAOYSA-J

C4H4K2O10Pt

485.35

484.872654

null

163

172

0

2

10

0

17

null

0

1

0

1

0

1

Ethanesulfonic acid, isopropyl ester

14245-62-6

134,677

propan-2-yl ethanesulfonate

CCS(=O)(=O)OC(C)C

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

COCAPDHQLSKPBJ-UHFFFAOYSA-N

C5H12O3S

152.21

152.050715

0.8

51.8

152

0

3

9

null

0

1

0

1

0

1

0

1

Propane, 1,1,3-trimethoxy-

14315-97-0

84,348

1,1,3-trimethoxypropane

COCCC(OC)OC

InChI=1S/C6H14O3/c1-7-5-4-6(8-2)9-3/h6H,4-5H2,1-3H3

FKZYYYDRLJCHGL-UHFFFAOYSA-N

C6H14O3

134.17

134.094294

0.3

27.7

52

0

3

5

9

null

0

1

0

1

0

1

Propanoic acid, 2-butoxy-

14620-87-2

13,668,407

2-butoxypropanoic acid

CCCCOC(C)C(=O)O

InChI=1S/C7H14O3/c1-3-4-5-10-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

LXSVWFRZICUOLU-UHFFFAOYSA-N

C7H14O3

146.18

146.094294

1.3

46.5

101

0

1

3

5

10

null

0

1

0

1

0

1

Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrochloride

14653-77-1

146,169

2-(3-aminopropylamino)ethanethiol;dihydrochloride

C(CN)CNCCS.Cl.Cl

InChI=1S/C5H14N2S.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H

XDRLRDHLCIFZIW-UHFFFAOYSA-N

C5H16Cl2N2S

207.16

206.041125

null

39.1

41

0

5

3

5

10

null

0

1

0

1

0

Chromic acid, nickel(2+) salt (1:1)

14721-18-7

61,767

dioxido(dioxo)chromium;nickel(2+)

[O-][Cr](=O)(=O)[O-].[Ni+2]

InChI=1S/Cr.Ni.4O/q;+2;;;2*-1

QGAXAFUJMMYEPE-UHFFFAOYSA-N

CrNiO4

174.687

173.855505

null

80.3

62

0

4

0

6

null

1

0

1

0

1

0

1

0

2-Nonenoic acid, (2E)-

14812-03-4

5,312,586

(E)-non-2-enoic acid

CCCCCC/C=C/C(=O)O

InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+

ADLXTJMPCFOTOO-BQYQJAHWSA-N

C9H16O2

156.22

156.11503

3.2

37.3

128

0

1

2

6

11

null

0

1

0

1

0

3-Heptanol, 4-methyl-

14979-39-6

26,989

4-methylheptan-3-ol

CCCC(C)C(CC)O

InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3

BKQICAFAUMRYLZ-UHFFFAOYSA-N

C8H18O

130.23

130.135765

2.7

20.2

61

0

1

4

9

null

0

1

0

1

0

1

Propanoic acid, 3-(hydroxymethylphosphinyl)-

15090-23-0

84,788

3-[hydroxy(methyl)phosphoryl]propanoic acid

CP(=O)(CCC(=O)O)O

InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)

QXFUBAAEKCHBQY-UHFFFAOYSA-N

C4H9O4P

152.09

152.023846

-1.6

74.6

153

0

2

4

3

9

null

0

1

0

1

0

1

0

Propane, 1,1,2,3,3-pentachloro-

15104-61-7

27,027

1,1,2,3,3-pentachloropropane

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

InChI=1S/C3H3Cl5/c4-1(2(5)6)3(7)8/h1-3H

PANVCEBTPSTUEL-UHFFFAOYSA-N

C3H3Cl5

216.3

215.864788

3

0

52

0

2

8

null

0

1

0

Arsenenic acid, sodium salt

15120-17-9

23,675,353

null

[O-][As](=O)=O.[Na+]

InChI=1S/AsHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1

MNSRNEWGVNQDQV-UHFFFAOYSA-M

AsNaO3

145.91

145.896108

null

57.2

49

0

3

0

5

null

0

1

0

1

0

1

0

1

0

1

0

Ethanamine, N-ethyl-N-((triethoxysilyl)methyl)-

15180-47-9

203,781

N-ethyl-N-(triethoxysilylmethyl)ethanamine

CCN(CC)C[Si](OCC)(OCC)OCC

InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3

UMXXGDJOCQSQBV-UHFFFAOYSA-N

C11H27NO3Si

249.42

249.17602

null

30.9

148

0

4

10

16

null

0

1

0

1

0

1

Chromium, tetrachloro-mu-hydroxy(mu-(octadecanoato-O:O'))di-

15242-96-3

3,034,068

bis(chromium(3+));octadecanoate;tetrachloride;hydroxide

CCCCCCCCCCCCCCCCCC(=O)[O-].[OH-].[Cl-].[Cl-].[Cl-].[Cl-].[Cr+3].[Cr+3]

InChI=1S/C18H36O2.4ClH.2Cr.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2-17H2,1H3,(H,19,20);4*1H;;;1H2/q;;;;;2*+3;/p-6

OOOBCBJWKXTYAX-UHFFFAOYSA-H

C18H36Cl4Cr2O3

546.3

546.019915

null

41.1

196

0

1

7

15

27

36 °F (NTP, 1992)

180 °F at 760 mmHg (NTP, 1992)

0

1

0

Carbamic acid, thio-, S,S'-(2-(dimethylamino)trimethylene) ester

15263-53-3

27,159

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate

CN(C)C(CSC(=O)N)CSC(=O)N

InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)

IRUJZVNXZWPBMU-UHFFFAOYSA-N

C7H15N3O2S2

237.3

237.060569

0

140

193

0

2

5

7

14

null

1

0

1

0

Erythritol, 1,4-dibromo-1,4-dideoxy-, (O)-(+)-

15410-44-3

98,512

1,4-dibromobutane-2,3-diol

C(C(C(CBr)O)O)Br

InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2

XOWDQAHYPSENAC-UHFFFAOYSA-N

C4H8Br2O2

247.91

247.88706

0.5

40.5

52

0

2

3

8

null

0

1

0

1

0

1

Choline, chloride, dihydrogen phosphate calcium, tetrahydrate

15557-11-6

20,968

calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride

C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2]

InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2

ICVPTJCCKTXCDT-UHFFFAOYSA-L

C5H13CaClNO4P

257.66

256.989663

null

72.4

147

0

5

3

13

null

0

1

0

1

0

1

2-Butenoic acid, 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxo-, (Z,Z)-

15571-60-5

16,684,013

(Z)-4-[[(Z)-3-carboxyprop-2-enoyl]oxy-dioctylstannyl]oxy-4-oxobut-2-enoic acid

CCCCCCCC[Sn](OC(=O)/C=C\C(=O)O)(OC(=O)/C=C\C(=O)O)CCCCCCCC

InChI=1S/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;

WNEDOMBPJDUQPS-BFIADXHOSA-L

C24H40O8Sn

575.3

576.174521

null

127

601

0

2

8

22

33

null

0

1

0

1

0

Carbamic acid, vinyl ester

15805-73-9

27,492

ethenyl carbamate

C=COC(=O)N

InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)

LVLANIHJQRZTPY-UHFFFAOYSA-N

C3H5NO2

87.08

87.032028

0

52.3

69

0

1

2

6

null

0

1

0

1

0

1

Ethylamine, 2,2'-((dimethylsilylene)dioxy)bis-

15942-80-0

27,573

2-[2-aminoethoxy(dimethyl)silyl]oxyethanamine

C[Si](C)(OCCN)OCCN

InChI=1S/C6H18N2O2Si/c1-11(2,9-5-3-7)10-6-4-8/h3-8H2,1-2H3

XCYUKUCZYUZAOV-UHFFFAOYSA-N

C6H18N2O2Si

178.3

178.113754

null

70.5

90

0

2

4

6

11

null

0

1

0

1

0

1

0

1

Antimonate(2-), bis(mu-(2,3-dihydroxybutanedioato(4-)-O1,O2:O3,O4))di-, dipotassium, trihydrate, stereoisomer

16039-64-8

56,846,568

potassium;antimony(3+);bis(2,3-dihydroxybutanedioate)

C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[Sb+3]

InChI=1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4

IIQJBVZYLIIMND-UHFFFAOYSA-J

C8H8KO12Sb

457

455.86909

null

241

123

0

4

12

2

22

null

0

1

0

1

0

Methanesulfonic acid, 2-methylpropyl ester

16156-53-9

119,240

2-methylpropyl methanesulfonate

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

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

PZMKMCFRTKGVOL-UHFFFAOYSA-N

C5H12O3S

152.21

152.050715

1

51.8

152

0

3

9

null

0

1

0

1

0

Methanesulfonic acid, 3-methylbutyl ester

16156-55-1

21,336,698

3-methylbutyl methanesulfonate

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

InChI=1S/C6H14O3S/c1-6(2)4-5-9-10(3,7)8/h6H,4-5H2,1-3H3

CPKOUXPEJOKKNM-UHFFFAOYSA-N

C6H14O3S

166.24

166.066366

1.3

51.8

164

0

3

4

10

null

0

1

0

1

0

Ethanesulfonic acid, 2,2'-dithiobis-, disodium salt

16208-51-8

65,625

disodium;2-(2-sulfonatoethyldisulfanyl)ethanesulfonate

C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+]

InChI=1S/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2

KQYGMURBTJPBPQ-UHFFFAOYSA-L

C4H8Na2O6S4

326.4

325.899911

null

182

268

0

8

5

16

null

0

1

0

1

0

1

Heptylamine, N-methyl-N-nitroso-

16338-99-1

27,822

N-heptyl-N-methylnitrous amide

CCCCCCCN(C)N=O

InChI=1S/C8H18N2O/c1-3-4-5-6-7-8-10(2)9-11/h3-8H2,1-2H3

REAKWIQVJUHNOX-UHFFFAOYSA-N

C8H18N2O

158.24

158.141913

3.1

32.7

96

0

3

6

11

null

0

1

0

1

0

1

0

1

0

1

0

1

Diethylamine, 1-methyl-N-nitroso-

16339-04-1

27,824

N-ethyl-N-propan-2-ylnitrous amide

CCN(C(C)C)N=O

InChI=1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3

VGGZTNNNXAUZLB-UHFFFAOYSA-N

C5H12N2O

116.16

116.094963

0.9

32.7

72

0

3

2

8

null

0

1

0

1

0

1

0

1

Ethylamine, 2-chloro-N-methyl-N-nitroso-

16339-16-5

27,829

N-(2-chloroethyl)-N-methylnitrous amide

CN(CCCl)N=O

InChI=1S/C3H7ClN2O/c1-6(5-7)3-2-4/h2-3H2,1H3

JTJQWOJKHHOSMK-UHFFFAOYSA-N

C3H7ClN2O

122.55

122.024691

0.8

32.7

58

0

3

2

7

null

0

1

0

1

0

1

0

1

0

1

Propanenitrile, 2-(methylamino)-

16752-54-8

93,083

2-(methylamino)propanenitrile

CC(C#N)NC

InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3

MTKGPLGETVCLCF-UHFFFAOYSA-N

C4H8N2

84.12

84.068748

0

35.8

68

0

1

2

1

6

null

0

1

0

1

0

1

0

1

Tungsten, tris(acetonitrile)tricarbonyl-

16800-47-8

11,003,671

tris(acetonitrile);carbon monoxide;tungsten

CC#N.CC#N.CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

InChI=1S/3C2H3N.3CO.W/c3*1-2-3;3*1-2;/h3*1H3;;;;

MHVAYSUFFMSBKA-UHFFFAOYSA-N

C9H9N3O3W

391.03

391.015324

null

74.4

39

0

6

0

16

null

0

1

0

Platinum(IV), diamminetetrachloro-, (Z)-

16893-05-3

150,168

azane;platinum(4+);tetrachloride

N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4]

InChI=1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+4/p-4

RBHOYUZKIANPPG-UHFFFAOYSA-J

Cl4H6N2Pt

371

370.890353

null

2

0

2

6

0

7

null

0

1

0

1

0

1

0

1

0

Gold chloride, hydrochloride, trihydrate

16961-25-4

44,134,746

trichlorogold;trihydrate;hydrochloride

O.O.O.Cl.Cl[Au](Cl)Cl

InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3

XYYVDQWGDNRQDA-UHFFFAOYSA-K

AuCl4H7O3

393.8

393.87855

null

3

8

0

4

3

0

8

null

0

1

0

1

0

1

0

1

0

Propanoic acid, cadmium salt

16986-83-7

197,953

cadmium(2+);propanoate

CCC(=O)[O-].CCC(=O)[O-].[Cd+2]

InChI=1S/2C3H6O2.Cd/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2

JTZFNJUMDPPGBY-UHFFFAOYSA-L

C6H10CdO4

258.55

259.961274

null

80.3

34

0

4

0

11

null

0

1

0

1

0

1

0

1

0

1

0

Ammonium, methyltrioctyl-, borohydride

17083-38-4

6,328,189

null

[B-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC

InChI=1S/C25H54N.B/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;/q+1;-1

UHMVZDZCXGNDJJ-UHFFFAOYSA-N

C25H54BN

379.5

379.434931

null

0

220

0

1

21

27

null

0

1

0

1

0

1

0

1

Iron, (hydrogen(ethylenedinitrilo)tetraacetato)-

17099-81-9

28,283

2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;iron(3+)

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Fe+3]

InChI=1S/C10H16N2O8.Fe/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;+3/p-3

UOMQUZPKALKDCA-UHFFFAOYSA-K

C10H13FeN2O8

345.06

345.002126

null

164

351

0

1

10

8

21

null

0

1

0

1

0

Ethylamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride

17339-60-5

12,574,418

2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine;dihydrochloride

CN(C)CCSSCCN(C)C.Cl.Cl

InChI=1S/C8H20N2S2.2ClH/c1-9(2)5-7-11-12-8-6-10(3)4;;/h5-8H2,1-4H3;2*1H

OJNVDODUOWHJPK-UHFFFAOYSA-N

C8H22Cl2N2S2

281.3

280.060146

null

57.1

85

0

2

4

7

14

null

1

0

1

0

1

0

1

0

2-Butanol, 3,3,4,4-tetrafluoro-

17425-25-1

28,533

3,3,4,4-tetrafluorobutan-2-ol

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

InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3

UPMGUZUMWYWMKI-UHFFFAOYSA-N

C4H6F4O

146.08

146.035478

1.5

20.2

92

0

1

5

2

9

null

0

1

0

Carbamic acid, diethyldithio-, lead(II) salt

17549-30-3

28,593

bis(N,N-diethylcarbamodithioate);lead(2+)

CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2]

InChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2

XTFSWQKNABTKAT-UHFFFAOYSA-L

C10H20N2PbS4

504

504.02759

null

72.7

73

0

4

17

null

1

0

1

0

1

0

1

0

1

0

Acetic acid, thio-, S-2-aminoethyl ester, hydrochloride

17612-91-8

519,453

S-(2-aminoethyl) ethanethioate;hydrochloride

CC(=O)SCCN.Cl

InChI=1S/C4H9NOS.ClH/c1-4(6)7-3-2-5;/h2-3,5H2,1H3;1H

AWSDWONPEAAYIB-UHFFFAOYSA-N

C4H10ClNOS

155.65

155.017163

null

68.4

64

0

2

3

8

null

0

1

0

1

0

1

0

1

Acetamide, 2-chloro-N-(2-cyanoethyl)-

17756-81-9

87,296

2-chloro-N-(2-cyanoethyl)acetamide

C(CNC(=O)CCl)C#N

InChI=1S/C5H7ClN2O/c6-4-5(9)8-3-1-2-7/h1,3-4H2,(H,8,9)

WECIKJKLCDCIMY-UHFFFAOYSA-N

C5H7ClN2O

146.57

146.024691

-0.1

52.9

137

0

1

2

3

9

null

0

1

0

Choline, iodide

17773-10-3

87,300

2-hydroxyethyl(trimethyl)azanium iodide

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

InChI=1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

FNPBHXSBDADRBT-UHFFFAOYSA-M

C5H14INO

231.08

231.01201

null

20.2

46

0

1

2

8

null

0

1

0

1

0

1

Cobalt, tri-mu-carbonylnonacarbonyltetra-, tetrahydro-

17786-31-1

6,096,999

carbon monoxide;cobalt

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]

InChI=1S/12CO.4Co/c12*1-2;;;;

YMFAWOSEDSLYSZ-UHFFFAOYSA-N

C12Co4O12

571.85

571.67175

null

12

10

0

12

0

28

null

0

1

0

1

0

1

0

1

0

2-Pentanesulfonamide

17854-62-5

205,367

pentane-2-sulfonamide

CCCC(C)S(=O)(=O)N

InChI=1S/C5H13NO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)

RJKFMNAOIIXTBV-UHFFFAOYSA-N

C5H13NO2S

151.23

151.0667

0.6

68.5

156

0

1

3

9

null

0

1

0

1

0

1

0

1

Propionitrile, 3-(dimethylamino)-, hydrochloride

18076-02-3

205,493

3-(dimethylamino)propanenitrile;hydrochloride

CN(C)CCC#N.Cl

InChI=1S/C5H10N2.ClH/c1-7(2)5-3-4-6;/h3,5H2,1-2H3;1H

VXYYGUQECNRTJT-UHFFFAOYSA-N

C5H11ClN2

134.61

134.061076

null

27

77

0

1

2

8

null

0

1

0

1

0

1

0

1

Ethanethiol, 2-(trimethylsilyl)-

18143-30-1

205,521

2-trimethylsilylethanethiol

C[Si](C)(C)CCS

InChI=1S/C5H14SSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3

BCOLNMGFOWHFNI-UHFFFAOYSA-N

C5H14SSi

134.32

134.058548

null

1

46

0

1

2

7

null

0

1

0

1

0

1

Propanedinitrile, (bis(ethylthio)methylene)-

18771-38-5

161,256

2-[bis(ethylsulfanyl)methylidene]propanedinitrile

CCSC(=C(C#N)C#N)SCC

InChI=1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3

FJQWUIXBQMGVPS-UHFFFAOYSA-N

C8H10N2S2

198.3

198.028541

2.1

98.2

237

0

4

12

null

0

1

0

1

0

1

0

1

Propionyl chloride, 2,3-dibromo-

18791-02-1

86,790

2,3-dibromopropanoyl chloride

C(C(C(=O)Cl)Br)Br

InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2

HWKWYDXHMQQDQJ-UHFFFAOYSA-N

C3H3Br2ClO

250.31

249.82187

2.4

17.1

75

0

1

2

7

null

0

1

0

1

0

1

2-Butene, 1,4-dibromo-2-methyl-

18860-95-2

6,444,819

(E)-1,4-dibromo-2-methylbut-2-ene

C/C(=C\CBr)/CBr

InChI=1S/C5H8Br2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2+

HICPKHPJQJZCFP-GORDUTHDSA-N

C5H8Br2

227.92

227.89723

2.7

0

66

0

2

7

null

0

1

0

1

0

1

Peroxynitrite

19059-14-4

104,806

oxido nitrite

N(=O)O[O-]

InChI=1S/HNO3/c2-1-4-3/h3H/p-1

CMFNMSMUKZHDEY-UHFFFAOYSA-M

NO3-

62.005

61.987818

-0.5

61.7

17

-1

0

4

0

4

null

0

1

0

1

0

Malonal, 3,3-dimethyl acetal

19060-10-7

29,398

3,3-dimethoxypropanal

COC(CC=O)OC

InChI=1S/C5H10O3/c1-7-5(8-2)3-4-6/h4-5H,3H2,1-2H3

KXVQJIFNPZJOTG-UHFFFAOYSA-N

C5H10O3

118.13

118.062994

-0.5

35.5

58

0

3

4

8

null

0

1

0

1

0

1

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

19327-40-3

159,866

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

CCCCCCCCOCCOCCOCCOCCOCCO

InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3

MJELOWOAIAAUJT-UHFFFAOYSA-N

C18H38O6

350.5

350.266839

2.3

66.4

216

0

1

6

21

24

null

0

1

0

1

0

1

Guanidine, ethyl-, monohydrochloride

19341-54-9

11,297,964

2-ethylguanidine;hydrochloride

CCN=C(N)N.Cl

InChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H

GVSGVBVZXJOLDD-UHFFFAOYSA-N

C3H10ClN3

123.58

123.056325

null

64.4

53

0

3

1

7

null

0

1

0

1

0

1

0

1

2-Butanol, 1,4-dibromo-

19398-47-1

29,570

1,4-dibromobutan-2-ol

C(CBr)C(CBr)O

InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2

PSSRAPMBSMSACN-UHFFFAOYSA-N

C4H8Br2O

231.91

231.89214

1.5

20.2

40

0

1

3

7

null

0

1

0

Cysteine, N-formyl-, L-

19538-78-4

29,649

(2R)-2-formamido-3-sulfanylpropanoic acid

C([C@@H](C(=O)O)NC=O)S

InChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1

JTGVRUVUKGUTRL-VKHMYHEASA-N

C4H7NO3S

149.17

149.014664

-0.5

67.4

116

0

3

4

3

9

null

0

1

0

1

0

1

0

1

Carbamic acid, (3-dimethylaminopropyl)thio-, S-ethyl ester, hydrochloride

19622-19-6

13,503,892

S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride

CCSC(=O)NCCCN(C)C.Cl

InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H

NMFAMPYSJHIYMR-UHFFFAOYSA-N

C8H19ClN2OS

226.77

226.090662

null

57.6

128

0

2

3

6

13

null

0

1

0

1

0

Tin, di-n-butyl-, di(hexadecylmaleate)

19706-58-2

16,684,038

4-O-[dibutyl-[(Z)-4-hexadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-hexadecyl (Z)-but-2-enedioate

CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC

InChI=1S/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-16-;;;

WKBGYBQIHPLBDZ-UWBIUZGUSA-L

C48H88O8Sn

911.9

912.550122

null

105

946

0

8

46

57

null

0

1

0

1

0

1

0

Phosphorisocyanatidic acid, diethyl ester

20039-33-2

580,184

1-[ethoxy(isocyanato)phosphoryl]oxyethane

CCOP(=O)(N=C=O)OCC

InChI=1S/C5H10NO4P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3

BSCBJDQIQBYMBT-UHFFFAOYSA-N

C5H10NO4P

179.11

179.034745

1.3

65

189

0

5

11

null

0

1

0

1

0

1

0

1

7-Dodecen-1-ol, (Z)-

20056-92-2

29,925

dodec-7-en-1-ol

CCCCC=CCCCCCCO

InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3

WWDOVTHLTQFGOZ-UHFFFAOYSA-N

C12H24O

184.32

184.182715

4.2

20.2

108

0

1

9

13

null

0

1

0

1

0

1

beta-Alanine, N,N-dimethyl-, ethyl ester

20120-21-2

88,372

ethyl 3-(dimethylamino)propanoate

CCOC(=O)CCN(C)C

InChI=1S/C7H15NO2/c1-4-10-7(9)5-6-8(2)3/h4-6H2,1-3H3

IZMJWGJGVGRWBW-UHFFFAOYSA-N

C7H15NO2

145.2

145.110279

0.5

29.5

102

0

3

5

10

null

0

1

0

1

0

1

2-Butenyldiamine, N,N,N',N'-tetraethyl-

20412-52-6

5,370,209

(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine

CCN(CC)C/C=C\CN(CC)CC

InChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9-

GTSWSDCAOQCBEH-KTKRTIGZSA-N

C12H26N2

198.35

198.209599

2.1

6.5

119

0

2

8

14

null

0

1

0

tert-Butylamine, 1-methoxy-

20719-68-0

88,666

1-methoxy-2-methylpropan-2-amine

CC(C)(COC)N

InChI=1S/C5H13NO/c1-5(2,6)4-7-3/h4,6H2,1-3H3

CMZQPQQRGBOLHN-UHFFFAOYSA-N

C5H13NO

103.16

103.099714

-0.2

35.3

52

0

1

2

7

null

0

1

0

1

0

1

0

1

Aspartic acid, calcium salt, L-

21059-46-1

30,465

calcium (2S)-2-aminobutanedioate

C([C@@H](C(=O)[O-])N)C(=O)[O-].[Ca+2]

InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1

OPSXJNAGCGVGOG-DKWTVANSSA-L

C4H5CaNO4

171.16

170.984449

null

106

122

0

1

5

1

10

null

0

1

0

1

0

1

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

21264-32-4

88,841

bis(acetonitrile);platinum(2+);dichloride

CC#N.CC#N.[Cl-].[Cl-].[Pt+2]

InChI=1S/2C2H3N.2ClH.Pt/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2

NSWGBUVHSQEDRN-UHFFFAOYSA-L

C4H6Cl2N2Pt

348.09

346.955598

null

47.6

29

0

4

0

9

null

0

1

0

1

0

1

0

L-Cysteine, S-2-propenyl-

21593-77-1

9,793,905

(2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid

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

InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

ZFAHNWWNDFHPOH-YFKPBYRVSA-N

C6H11NO2S

161.22

161.05105

-2.1

88.6

127

0

2

4

5

10

null

0

1

0

Aluminum, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')-, (T-4)

21863-06-9

168,005

aluminum 2-[bis(2-oxidoethyl)amino]ethanolate

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

InChI=1S/C6H12NO3.Al/c8-4-1-7(2-5-9)3-6-10;/h1-6H2;/q-3;+3

IRMOUQGSNFXEJH-UHFFFAOYSA-N

C6H12AlNO3

173.15

173.063257

null

72.4

55

0

4

6

11

null

0

1

0

1

0

1

Acetamide, oxime

22059-22-9

5,487,681

N'-hydroxyethanimidamide

C/C(=N/O)/N

InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)

AEXITZJSLGALNH-UHFFFAOYSA-N

C2H6N2O

74.08

74.048013

-0.6

58.6

49

0

2

0

5

null

0

1

0

1

0

1

0

1

Ammonium, bis(2-hydroxyethyl)methyldodecyl-, chloride

22340-01-8

31,146

dodecyl-bis(2-hydroxyethyl)-methylazanium chloride

CCCCCCCCCCCC[N+](C)(CCO)CCO.[Cl-]

InChI=1S/C17H38NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;/h19-20H,3-17H2,1-2H3;1H/q+1;/p-1

YBRQEOLOGGLDGM-UHFFFAOYSA-M

C17H38ClNO2

323.9

323.259107

null

40.5

191

0

2

3

15

21

null

0

1

0

1

0

1

0

Propanoic acid, 2-chloro-2-methyl-, methyl ester

22421-97-2

211,144

methyl 2-chloro-2-methylpropanoate

CC(C)(C(=O)OC)Cl

InChI=1S/C5H9ClO2/c1-5(2,6)4(7)8-3/h1-3H3

GJWBUVKJZQLZNB-UHFFFAOYSA-N

C5H9ClO2

136.58

136.029107

1.4

26.3

98

0

2

8

null

0

1

0

1

0

1

Phosphonic acid, (dichloromethylene)bis-, disodium salt

22560-50-5

31,195

disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate

C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.[Na+].[Na+]

InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2

HJKBJIYDJLVSAO-UHFFFAOYSA-L

CH2Cl2Na2O6P2

288.85

287.849906

null

121

206

0

2

6

2

13

null

0

1

0

1

0

Zirconyl citrate

22830-18-8

168,070

2-hydroxypropane-1,2,3-tricarboxylate;zirconium(3+)

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

InChI=1S/C6H8O7.Zr/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

CNOGUCUPRNUHQN-UHFFFAOYSA-K

C6H5O7Zr

280.32

278.908226

null

141

211

0

1

7

2

14

null

0

1

0

1

0