Anonymous-07/SafeChem · Datasets at Hugging Face

L-THREITOL

002319-57-5

445,969

(2S,3S)-butane-1,2,3,4-tetrol

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

InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1

UNXHWFMMPAWVPI-IMJSIDKUSA-N

C4H10O4

122.12

122.057909

-2.3

80.9

48

0

4

3

8

null

0

1

0

1

0

1

COPPER (I) ACETATE

000598-54-9

69,023

copper(1+) acetate

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

InChI=1S/C2H4O2.Cu/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

RFKZUAOAYVHBOY-UHFFFAOYSA-M

C2H3CuO2

122.59

121.942901

null

40.1

25

0

2

0

5

null

0

1

0

1

0

1

2-CHLOROETHANESULFONIC ACID, SODIUM SALT

015484-44-3

23,666,332

sodium;2-chloroethanesulfonate;hydrate

C(CCl)S(=O)(=O)[O-].O.[Na+]

InChI=1S/C2H5ClO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1

OSEJMOGPHHVJJG-UHFFFAOYSA-M

C2H6ClNaO4S

184.58

183.957302

null

66.6

125

0

1

4

2

9

null

0

1

0

1

0

1

DIISOPROPYL AZODICARBOXYLATE

002446-83-5

5,363,146

propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate

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

InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+

VVWRJUBEIPHGQF-MDZDMXLPSA-N

C8H14N2O4

202.21

202.095357

2.6

77.3

211

0

4

14

null

0

1

0

1

0

1

11-BROMO-1-UNDECENE

007766-50-9

284,148

11-bromoundec-1-ene

C=CCCCCCCCCCBr

InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2

YPLVPFUSXYSHJD-UHFFFAOYSA-N

C11H21Br

233.19

232.08266

6

0

89

0

9

12

null

0

1

0

1

0

1

GOLD(I) IODIDE

010294-31-2

82,526

iodogold

I[Au]

InChI=1S/Au.HI/h;1H/q+1;/p-1

ATGIETUGWDAYPU-UHFFFAOYSA-M

AuI

323.871

323.87104

null

0

2

0

2

null

0

1

0

1

0

1

2,4-DIMETHYL-3-HEPTANOL

019549-72-5

140,545

2,4-dimethylheptan-3-ol

CCCC(C)C(C(C)C)O

InChI=1S/C9H20O/c1-5-6-8(4)9(10)7(2)3/h7-10H,5-6H2,1-4H3

PSCLFHNWSAXNJL-UHFFFAOYSA-N

C9H20O

144.25

144.151415

3.2

20.2

78

0

1

4

10

null

0

1

0

1

0

1

METHYL DIOCTADECYLAMINE

004088-22-6

77,709

N-methyl-N-octadecyloctadecan-1-amine

CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC

InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3

VFLWKHBYVIUAMP-UHFFFAOYSA-N

C37H77N

536

535.605602

17.9

3.2

356

0

1

34

38

null

0

1

0

1

0

1

N-ACETYLGLYCINE

000543-24-8

10,972

2-acetamidoacetic acid

CC(=O)NCC(=O)O

InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

OKJIRPAQVSHGFK-UHFFFAOYSA-N

C4H7NO3

117.1

117.042593

-1.2

66.4

110

0

2

3

2

8

null

0

1

0

1

0

1

COPPER (II) PYROPHOSPHATE, HYDRATE

304671-71-4

16,212,263

dicopper;phosphonato phosphate;hydrate

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

InChI=1S/2Cu.H4O7P2.H2O/c;;1-8(2,3)7-9(4,5)6;/h;;(H2,1,2,3)(H2,4,5,6);1H2/q2*+2;;/p-4

PXZSJEBZWADSIY-UHFFFAOYSA-J

Cu2H2O8P2

319.05

317.781685

null

137

124

0

1

8

0

12

null

0

1

0

1

0

1

5-HEXYN-1-OL

000928-90-5

70,234

hex-5-yn-1-ol

C#CCCCCO

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2

GOQJMMHTSOQIEI-UHFFFAOYSA-N

C6H10O

98.14

98.073165

0.8

20.2

67

0

1

3

7

null

0

1

0

1

0

1

OXAMIC ACID FREE ACID

000471-47-6

974

oxamic acid

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

InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)

SOWBFZRMHSNYGE-UHFFFAOYSA-N

C2H3NO3

89.05

89.011293

-0.9

80.4

86

0

2

3

1

6

null

0

1

0

1

0

1

DODECYLTRIETHOXYSILANE

018536-91-9

87,696

dodecyl(triethoxy)silane

CCCCCCCCCCCC[Si](OCC)(OCC)OCC

InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3

YGUFXEJWPRRAEK-UHFFFAOYSA-N

C18H40O3Si

332.6

332.274672

null

27.7

207

0

3

17

22

null

0

1

0

1

0

1

DIETHYL (2-BROMOETHYL)PHOSPHONATE

005324-30-1

79,218

1-bromo-2-diethoxyphosphorylethane

CCOP(=O)(CCBr)OCC

InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

PINITSMLVXAASM-UHFFFAOYSA-N

C6H14BrO3P

245.05

243.98639

1

35.5

130

0

3

6

11

null

0

1

0

1

0

1

GALLIUM(III) SULFATE

013494-91-2

64,773

digallium;trisulfate

[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ga+3].[Ga+3]

InChI=1S/2Ga.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

UXLRWZBQRAWBQA-UHFFFAOYSA-H

Ga2O12S3

427.6

427.70547

null

266

62

0

12

0

17

null

0

1

0

1

0

1

SODIUM GOLD (1) SULFITE SOLUTION

019153-98-1

167,790

trisodium;gold(1+);disulfite

[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+]

InChI=1S/Au.3Na.2H2O3S/c;;;;2*1-4(2)3/h;;;;2*(H2,1,2,3)/q4*+1;;/p-4

YZFKUFJKKKTKSB-UHFFFAOYSA-J

AuNa3O6S2

426.07

425.849508

null

165

18

0

8

0

12

null

0

1

0

1

0

1

ZINC SULFITE DIHYDRATE

007488-52-0

16,213,628

zinc;sulfite;dihydrate

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

InChI=1S/H2O3S.2H2O.Zn/c1-4(2)3;;;/h(H2,1,2,3);2*1H2;/q;;;+2/p-2

QUPDPMXNPJYOTJ-UHFFFAOYSA-L

H4O5SZn

181.5

179.907086

null

84.4

18

0

2

6

0

7

null

0

1

0

1

0

1

TETRAMETHYL ORTHOSILICATE

000681-57-2

12,681

2,2-dimethylpentanedioic acid

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

InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)

BTUDGPVTCYNYLK-UHFFFAOYSA-N

C7H12O4

160.17

160.073559

0.7

74.6

171

0

2

4

11

null

0

1

0

1

0

1

O-METHYLISOUREA HYDROGENSULFATE

029427-58-5

169,039

methyl carbamimidate;sulfuric acid

COC(=N)N.OS(=O)(=O)O

InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)

MDFRYRPNRLLJHT-UHFFFAOYSA-N

C2H8N2O5S

172.16

172.015393

null

142

124

0

4

6

1

10

null

0

1

0

1

0

1

L-GLUTAMINE-15N2 ACID A-N-T BOC DERIVATIVE

013726-85-7

83,687

(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1

VVNYDCGZZSTUBC-LURJTMIESA-N

C10H18N2O5

246.26

246.121572

-0.2

119

308

0

3

5

7

17

null

0

1

0

1

0

1

N-EPSILON-ACETYL-L-LYSINE

000692-04-6

92,832

(2S)-6-acetamido-2-aminohexanoic acid

CC(=O)NCCCC[C@@H](C(=O)O)N

InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

DTERQYGMUDWYAZ-ZETCQYMHSA-N

C8H16N2O3

188.22

188.116092

-2.8

92.4

182

0

3

4

6

13

null

0

1

0

1

0

1

(S)-(-)-(3-CHLORO-2-HYDROXYPROPYL)-TRIMETHYLAMMONIUM CHLORIDE

101396-91-2

2,793,814

[(2S)-3-chloro-2-hydroxypropyl]-trimethylazanium chloride

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

InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1/t6-;/m1./s1

CSPHGSFZFWKVDL-FYZOBXCZSA-M

C6H15Cl2NO

188.09

187.05307

null

20.2

79

0

1

2

3

10

null

0

1

0

1

0

1

N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-LEUCINE

013139-15-6

83,170

(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1

MDXGYYOJGPFFJL-QMMMGPOBSA-N

C11H21NO4

231.29

231.147058

2.2

75.6

255

0

2

4

6

16

null

0

1

0

1

0

1

GLYCINE-D5

004896-77-9

2,723,970

deuterio 2,2-dideuterio-2-(dideuterioamino)acetate

[2H]C([2H])(C(=O)O[2H])N([2H])[2H]

InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2/hD3

DHMQDGOQFOQNFH-LGLHGEJLSA-N

C2H5NO2

80.1

80.063412

-3.2

63.3

42

0

2

3

1

5

null

0

1

0

1

0

1

DIMETHYL 2-OXOGLUTARATE

013192-04-6

25,775

dimethyl 2-oxopentanedioate

COC(=O)CCC(=O)C(=O)OC

InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3

TXIXSLPEABAEHP-UHFFFAOYSA-N

C7H10O5

174.15

174.052823

-0.2

69.7

196

0

5

6

12

null

0

1

0

1

0

1

(DIMETHYLAMINOMETHYLENE)DIMETHYLAMMONIUM CHLORIDE

001071-38-1

9,793,790

dimethylaminomethylidene(dimethyl)azanium chloride

CN(C)C=[N+](C)C.[Cl-]

InChI=1S/C5H13N2.ClH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;/p-1

BPBLGCSAYMJJJW-UHFFFAOYSA-M

C5H13ClN2

136.62

136.076726

null

6.3

59

0

1

8

null

0

1

0

1

0

1

3-(DIETHYLAMINO)-1,2-PROPANEDIOL

000621-56-7

79,074

3-(diethylamino)propane-1,2-diol

CCN(CC)CC(CO)O

InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3

LTACQVCHVAUOKN-UHFFFAOYSA-N

C7H17NO2

147.22

147.125929

-0.3

43.7

74

0

2

3

5

10

null

0

1

0

1

0

1

1,2,3-PROPANETRICARBOXYLIC ACID

000099-14-9

14,925

propane-1,2,3-tricarboxylic acid

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

InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

KQTIIICEAUMSDG-UHFFFAOYSA-N

C6H8O6

176.12

176.032088

-1.2

112

192

0

3

6

5

12

null

0

1

0

1

0

1

(E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE

000105-87-3

1,549,026

[(2E)-3,7-dimethylocta-2,6-dienyl] acetate

CC(=CCC/C(=C/COC(=O)C)/C)C

InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

HIGQPQRQIQDZMP-DHZHZOJOSA-N

C12H20O2

196.29

196.14633

3.5

26.3

233

0

2

6

14

greater than 200 °F (NTP, 1992)

468 °F at 760 mmHg (NTP, 1992)

0

1

0

1

0

N-OCTADECYL-1-OCTADECANAMINE

000112-99-2

66,989

N-octadecyloctadecan-1-amine

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC

InChI=1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3

HKUFIYBZNQSHQS-UHFFFAOYSA-N

C36H75N

522

521.589951

17.5

12

332

0

1

34

37

null

1

0

1

0

1

0

1

1-OCTACOSANOL

000557-61-9

68,406

octacosan-1-ol

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

CNNRPFQICPFDPO-UHFFFAOYSA-N

C28H58O

410.8

410.448767

13.8

20.2

263

0

1

26

29

null

392 to 482 °F at 1 mmHg (sublimes) (NTP, 1992)

0

1

0

1

0

1

HEXANEDIAMIDE

000628-94-4

12,364

hexanediamide

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

InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

GVNWZKBFMFUVNX-UHFFFAOYSA-N

C6H12N2O2

144.17

144.089878

-1.2

86.2

118

0

2

5

10

null

0

1

0

1

0

1

2-METHYL-2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL ESTER

002144-53-8

75,066

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

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

InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3

CDXFIRXEAJABAZ-UHFFFAOYSA-N

C12H9F13O2

432.18

432.039496

5.9

26.3

576

0

15

9

27

null

0

1

0

1

0

1

2-PROPENOIC ACID, DECYL ESTER

002156-96-9

16,541

decyl prop-2-enoate

CCCCCCCCCCOC(=O)C=C

InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3

FWLDHHJLVGRRHD-UHFFFAOYSA-N

C13H24O2

212.33

212.17763

5.1

26.3

164

0

2

11

15

260 °F (USCG, 1999)

473 °F at 760 mmHg (est.) (USCG, 1999)

0

1

0

1

0

1

2-PROPENOIC ACID, HEXYL ESTER

002499-95-8

17,259

hexyl prop-2-enoate

CCCCCCOC(=O)C=C

InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

LNMQRPPRQDGUDR-UHFFFAOYSA-N

C9H16O2

156.22

156.11503

3.4

26.3

119

0

2

7

11

68 °C c.c.

188 °C

0

1

0

1

0

1

MONOMETHYL SUCCINATE

003878-55-5

77,487

4-methoxy-4-oxobutanoic acid

COC(=O)CCC(=O)O

InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)

JDRMYOQETPMYQX-UHFFFAOYSA-N

C5H8O4

132.11

132.042259

0

63.6

118

0

1

4

9

null

0

1

0

1

0

1

N,N-DIETHYL-N-METHYLETHANAMINIUM CHLORIDE

010052-47-8

82,326

triethyl(methyl)azanium chloride

CC[N+](C)(CC)CC.[Cl-]

InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1

NIUZJTWSUGSWJI-UHFFFAOYSA-M

C7H18ClN

151.68

151.112777

null

0

47

0

1

3

9

null

0

1

0

1

0

1

2,2-BIS(((MERCAPTOACETYL)OXY)METHYL)-1,3-PROPANEDIYL BIS(MERCAPTOACETATE)

010193-99-4

82,441

[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate

C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S

InChI=1S/C13H20O8S4/c14-9(1-22)18-5-13(6-19-10(15)2-23,7-20-11(16)3-24)8-21-12(17)4-25/h22-25H,1-8H2

RUDUCNPHDIMQCY-UHFFFAOYSA-N

C13H20O8S4

432.6

432.004102

1.2

109

385

0

4

12

16

25

null

0

1

0

1

0

1

SULFAMIC ACID, IRON(2+) SALT (2:1)

014017-39-1

166,976

iron(2+) disulfamate

NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Fe+2]

InChI=1S/Fe.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2

SQZYOZWYVFYNFV-UHFFFAOYSA-L

FeH4N2O6S2

248.02

247.886014

null

183

79

0

2

8

0

11

null

0

1

0

1

0

1

1,2-ETHANEDIAMINE, N,N'-BIS(2-AMNNOETHYL)-, DIHYDROCHLORIDE

038260-01-4

71,433

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;dihydrochloride

C(CNCCNCCN)N.Cl.Cl

InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H

WYHIICXRPHEJKI-UHFFFAOYSA-N

C6H20Cl2N4

219.15

218.106502

null

76.1

49

0

6

4

7

12

null

0

1

0

1

0

1

TRIETHANOLAMINE PHOSPHATE

010017-56-8

61,430

2-[bis(2-hydroxyethyl)amino]ethanol;phosphoric acid

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

InChI=1S/C6H15NO3.H3O4P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;(H3,1,2,3,4)

NHFDKKSSQWCEES-UHFFFAOYSA-N

C6H18NO7P

247.18

247.082089

null

142

106

0

6

8

6

15

null

0

1

0

1

0

1

N-OCTYL-N-N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

015178-76-4

3,084,219

3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate

CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3

QZRAABPTWGFNIU-UHFFFAOYSA-N

C13H29NO3S

279.44

279.186815

2.9

65.6

281

0

3

10

18

null

0

1

0

1

0

1

A-Keto-Gamma-Methiolbutyric Acid Sodium Salt

051828-97-8

23,696,623

sodium 4-methylsulfanyl-2-oxobutanoate

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

InChI=1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1

IFSCKRWNXKWTLR-UHFFFAOYSA-M

C5H7NaO3S

170.16

170.00136

null

82.5

126

0

4

10

null

0

1

0

1

0

1

Tetrapentylammonium Bromide

000866-97-7

70,086

tetrapentylazanium bromide

CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]

InChI=1S/C20H44N.BrH/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;1H/q+1;/p-1

SPALIFXDWQTXKS-UHFFFAOYSA-M

C20H44BrN

378.5

377.26571

null

0

155

0

1

16

22

null

0

1

0

1

0

1

Tetrakis (Tris(Dimethylamino) Phosphoranylideneamino) Phosphonium CL

122951-89-7

10,908,885

tris(dimethylamino)-[[tris[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanylidene]amino]phosphanium chloride

CN(C)P(=NP(=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)(N(C)C)N(C)C.[Cl-]

InChI=1S/C24H72N16P5.ClH/c1-29(2)42(30(3)4,31(5)6)25-41(26-43(32(7)8,33(9)10)34(11)12,27-44(35(13)14,36(15)16)37(17)18)28-45(38(19)20,39(21)22)40(23)24;/h1-24H3;1H/q+1;/p-1

NYTYWTQXLWNFFQ-UHFFFAOYSA-M

C24H72ClN16P5

775.3

774.450249

null

88.3

880

0

17

16

46

null

0

1

0

1

0

1

1,11-UNDECANEDITHIOL

063476-06-2

12,351,200

undecane-1,11-dithiol

C(CCCCCS)CCCCCS

InChI=1S/C11H24S2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

ODMTYGIDMVZUER-UHFFFAOYSA-N

C11H24S2

220.4

220.131943

4.9

2

74

0

2

10

13

null

0

1

0

1

0

1

INDIUM(III) PHOSPHATE

014693-82-4

9,815,692

indium(3+) phosphate

[O-]P(=O)([O-])[O-].[In+3]

InChI=1S/In.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3

UJXZVRRCKFUQKG-UHFFFAOYSA-K

InO4P

209.79

209.857299

null

86.3

36

0

4

0

6

null

0

1

0

1

0

1

GADOLINIUM(III) BROMIDE HYDRATE

30010-20-9

16,212,942

tribromogadolinium;hydrate

O.Br[Gd](Br)Br

InChI=1S/3BrH.Gd.H2O/h3*1H;;1H2/q;;;+3;/p-3

KDHUBKIJZYSANI-UHFFFAOYSA-K

Br3GdH2O

414.98

414.68764

null

1

8

0

1

0

5

null

0

1

0

1

0

1

L-CYSTATHIONINE

000056-88-2

439,258

(2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid

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

InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

ILRYLPWNYFXEMH-WHFBIAKZSA-N

C7H14N2O4S

222.26

222.067428

-6

152

212

0

4

7

14

null

0

1

0

1

0

1

AZIDOTRIS(DIETHYLAMINO)PHOSPHONIUM BROMIDE

130888-29-8

11,728,342

[[diazonioimino-bis(diethylamino)-lambda5-phosphanyl]-ethylamino]ethane bromide

CCN(CC)P(=N[N+]#N)(N(CC)CC)N(CC)CC.[Br-]

InChI=1S/C12H30N6P.BrH/c1-7-16(8-2)19(15-14-13,17(9-3)10-4)18(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1

KWTHIBBMTIHXRV-UHFFFAOYSA-M

C12H30BrN6P

369.29

368.14529

null

50.2

297

0

6

9

20

null

0

1

0

1

0

1

N-ACETYLCYSTEAMINE

001190-73-4

14,484

N-(2-sulfanylethyl)acetamide

CC(=O)NCCS

InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)

AXFZADXWLMXITO-UHFFFAOYSA-N

C4H9NOS

119.19

119.040485

-0.2

30.1

64

0

2

7

null

0

1

0

1

0

1

N-ISOPROPYLMETHACRYLAMIDE

013749-61-6

83,698

2-methyl-N-propan-2-ylprop-2-enamide

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

InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)

YQIGLEFUZMIVHU-UHFFFAOYSA-N

C7H13NO

127.18

127.099714

1.3

29.1

127

0

1

2

9

null

0

1

0

1

0

1

ZINC CARBONATE

005263-02-5

11,955,398

pentazinc;dicarbonate;hexahydroxide

C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10

UOURRHZRLGCVDA-UHFFFAOYSA-D

C2H6O12Zn5

549

547.62423

null

132

18

0

6

12

0

19

null

1

0

1

0

1

0

2-AMINO-4-PENTYNOIC ACID

064165-64-6

95,575

2-aminopent-4-ynoic acid

C#CCC(C(=O)O)N

InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)

DGYHPLMPMRKMPD-UHFFFAOYSA-N

C5H7NO2

113.11

113.047679

-2.8

63.3

133

0

2

3

2

8

null

0

1

0

1

0

1

DIMETHYL L-2-AMINOGLUTARATE HYDROCHLORIDE

023150-65-4

12,917,568

dimethyl (2S)-2-aminopentanedioate;hydrochloride

COC(=O)CC[C@@H](C(=O)OC)N.Cl

InChI=1S/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/m0./s1

MFUPLHQOVIUESQ-JEDNCBNOSA-N

C7H14ClNO4

211.64

211.061136

null

78.6

169

0

2

5

6

13

null

0

1

0

1

0

1

PERFLUORO-1,4-DIBROMOBUTANE

000335-48-8

2,736,783

1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane

C(C(C(F)(F)Br)(F)F)(C(F)(F)Br)(F)F

InChI=1S/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14

RWWUGYJWSVESJC-UHFFFAOYSA-N

C4Br2F8

359.84

359.82185

4.6

0

199

0

8

3

14

null

0

1

0

1

0

INDIUM(II) CHLORIDE

013465-11-7

25,021,788

null

[Cl-].[Cl-].[In]

InChI=1S/2ClH.In/h2*1H;/p-2

SWHBYTRRQUSARN-UHFFFAOYSA-L

Cl2In-2

185.72

184.841584

null

0

-2

0

2

0

3

null

0

1

0

1

0

1

METHYL 3-BROMO-2-(BROMOMETHYL)PROPIONATE

022262-60-8

140,895

methyl 3-bromo-2-(bromomethyl)propanoate

COC(=O)C(CBr)CBr

InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3

USXVPPOARMSYGY-UHFFFAOYSA-N

C5H8Br2O2

259.92

259.88706

1.6

26.3

91

0

2

4

9

null

0

1

0

1

0

1

DICHLOROTETRAKIS(METHYLSULFOXIDE)RUTHENIUM

011070-19-2

150,194

dichlororuthenium;methylsulfinylmethane

CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.Cl[Ru]Cl

InChI=1S/4C2H6OS.2ClH.Ru/c4*1-4(2)3;;;/h4*1-2H3;2*1H;/q;;;;;;+2/p-2

UMJDEUKQHKMAOI-UHFFFAOYSA-L

C8H24Cl2O4RuS4

484.5

483.89779

null

145

31

0

8

0

19

null

0

1

0

1

0

1

2-METHYL-2,4-PENTANE-D12-DIOL

284474-72-2

71,309,223

1,1,1,2,3,3,5,5,5-nonadeuterio-4-(trideuteriomethyl)pentane-2,4-diol

[2H]C([2H])([2H])C([2H])(C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)O

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/i1D3,2D3,3D3,4D2,5D

SVTBMSDMJJWYQN-WWKUACGSSA-N

C6H14O2

130.25

130.174701

0.3

40.5

68

0

2

8

null

0

1

0

1

0

3-BUTENE-1,2,3-TRICARBOXYLIC ACID

026326-05-6

592,363

but-3-ene-1,2,3-tricarboxylic acid

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

InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h4H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

WOZHZOLFFPSEAM-UHFFFAOYSA-N

C7H8O6

188.13

188.032088

-0.6

112

266

0

3

6

5

13

null

0

1

0

1

0

DIETHYL ALLYLPHOSPHONATE

001067-87-4

573,014

3-diethoxyphosphorylprop-1-ene

CCOP(=O)(CC=C)OCC

InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

YPJHXRAHMUKXAE-UHFFFAOYSA-N

C7H15O3P

178.17

178.075881

0.8

35.5

146

0

3

6

11

null

0

1

0

1

0

1

TRANS-1-OCTEN-1-YLBORONIC ACID

042599-16-6

5,708,391

[(E)-oct-1-enyl]boronic acid

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

InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+

RBTAJLKAPFBZDQ-BQYQJAHWSA-N

C8H17BO2

156.03

156.13216

null

40.5

102

0

2

6

11

null

0

1

0

1

0

1

ZIRCONIUM CARBOXYETHYL ACRYLATE

123633-53-4

71,310,591

tetrakis(3-prop-2-enoyloxypropanoic acid);zirconium

C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.[Zr]

InChI=1S/4C6H8O4.Zr/c4*1-2-6(9)10-4-3-5(7)8;/h4*2H,1,3-4H2,(H,7,8);

VXCWFNCPUBWGJG-UHFFFAOYSA-N

C24H32O16Zr

667.7

666.073734

null

254

750

0

4

16

20

41

null

0

1

0

1

0

1

CALCIUM BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)

118448-18-3

6,917,035

calcium bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Ca+2]

InChI=1S/2C11H20O2.Ca/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;

DOOFPPIHJGRIGW-ATMONBRVSA-L

C22H38CaO4

406.6

406.239601

null

80.3

199

0

4

6

27

null

0

1

0

1

0

1

GADOLINIUM(III) SULFATE OCTAHYDRATE

013450-87-8

140,963,448

gadolinium;sulfuric acid;hydrate

O.OS(=O)(=O)O.[Gd]

InChI=1S/Gd.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2

ILMKCDPGFMHBCB-UHFFFAOYSA-N

GdH4O5S

273.35

273.90206

null

84

81

0

3

5

0

7

null

0

1

0

1

0

1

TRIS(2,2,2-TRIFLUOROETHYL) PHOSPHITE

000370-69-4

136,203

tris(2,2,2-trifluoroethyl) phosphite

C(C(F)(F)F)OP(OCC(F)(F)F)OCC(F)(F)F

InChI=1S/C6H6F9O3P/c7-4(8,9)1-16-19(17-2-5(10,11)12)18-3-6(13,14)15/h1-3H2

CBIQXUBDNNXYJM-UHFFFAOYSA-N

C6H6F9O3P

328.07

327.991085

3.4

27.7

217

0

12

6

19

null

0

1

0

1

0

1

FLUORINATED TRIETHYLENE GLYCOL MONOMETHYL ETHER

147492-57-7

2,778,161

2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol

C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2

PGUFRYZQAPBGDW-UHFFFAOYSA-N

C7H3F13O4

398.07

397.982375

4.2

47.9

431

0

1

17

8

24

null

0

1

0

1

0

1

TRIISOPROPYLSILANETHIOL

156275-96-6

3,435,097

tri(propan-2-yl)-sulfanylsilane

CC(C)[Si](C(C)C)(C(C)C)S

InChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3

CPKHFNMJTBLKLK-UHFFFAOYSA-N

C9H22SSi

190.42

190.121148

null

1

97

0

1

3

11

null

0

1

0

1

0

1

5-HYDROXYPENTANAL

004221-03-8

20,205

5-hydroxypentanal

C(CCO)CC=O

InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2

CNRGMQRNYAIBTN-UHFFFAOYSA-N

C5H10O2

102.13

102.06808

-0.3

37.3

43

0

1

2

4

7

null

0

1

0

1

0

1

11-AZIDOUNDECYLTRIMETHOXYSILANE

334521-23-2

46,779,110

11-azidoundecyl(trimethoxy)silane

CO[Si](CCCCCCCCCCCN=[N+]=[N-])(OC)OC

InChI=1S/C14H31N3O3Si/c1-18-21(19-2,20-3)14-12-10-8-6-4-5-7-9-11-13-16-17-15/h4-14H2,1-3H3

ACSJXAKDVNDMME-UHFFFAOYSA-N

C14H31N3O3Si

317.5

317.213468

null

42.1

274

0

5

15

21

null

0

1

0

1

0

1

GADOLINIUM(III) TRIFLUOROMETHANESULFONATE

052093-29-5

11,114,694

gadolinium(3+);tris(trifluoromethanesulfonate)

C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Gd+3]

InChI=1S/3CHF3O3S.Gd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

DYOBTPTUHDTANY-UHFFFAOYSA-K

C3F9GdO9S3

604.5

604.78018

null

197

145

0

18

0

25

null

0

1

0

1

0

1

9,9-BIS(2-(2-METHOXYETHOXY)ETHOXY)-2,5,8-TRIOXA-9-SILADODECAN-12-AMINE

087994-64-7

3,616,943

3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine

COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC

InChI=1S/C18H41NO9Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3/h4-19H2,1-3H3

PJURIXUDYDHOMA-UHFFFAOYSA-N

C18H41NO9Si

443.6

443.255058

null

109

289

0

1

10

24

29

null

0

1

0

1

0

1

DYSPROSIUM(III) TRIFLUOROMETHANESULFONATE

139177-62-1

9,938,788

dysprosium(3+);tris(trifluoromethanesulfonate)

C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Dy+3]

InChI=1S/3CHF3O3S.Dy/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

XSVCYDUEICANRJ-UHFFFAOYSA-K

C3DyF9O9S3

609.7

610.785254

null

197

145

0

18

0

25

null

0

1

0

1

0

1

ERBIUM(III) TRIFLUOROMETHANESULFONATE

139177-64-3

16,212,761

erbium;trifluoromethanesulfonic acid

C(F)(F)(F)S(=O)(=O)O.[Er]

InChI=1S/CHF3O3S.Er/c2-1(3,4)8(5,6)7;/h(H,5,6,7);

FECRNHPJGAZUKO-UHFFFAOYSA-N

CHErF3O3S

317.34

315.890151

null

62.8

158

0

1

6

0

9

null

0

1

0

1

0

1

THULIUM(III) TRIFLUOROMETHANESULFONATE

141478-68-4

2,733,936

thulium(3+);tris(trifluoromethanesulfonate)

C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Tm+3]

InChI=1S/3CHF3O3S.Tm/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

PBASUZORNBYVFM-UHFFFAOYSA-K

C3F9O9S3Tm

616.1

615.790293

null

197

145

0

18

0

25

null

0

1

0

1

0

1

TERT-BUTYL (2-(2-(2-BROMOETHOXY)ETHOXY)ETHYL)CARBAMATE

165963-71-3

22,471,886

tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate

CC(C)(C)OC(=O)NCCOCCOCCBr

InChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)

WGWDCMKAMHBDPO-UHFFFAOYSA-N

C11H22BrNO4

312.2

311.07322

1.4

56.8

206

0

1

4

10

17

null

0

1

0

1

0

1

TERT-BUTYL N-(6-HYDROXYHEXYL)CARBAMATE

075937-12-1

4,146,612

tert-butyl N-(6-hydroxyhexyl)carbamate

CC(C)(C)OC(=O)NCCCCCCO

InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)

BDLPJHZUTLGFON-UHFFFAOYSA-N

C11H23NO3

217.31

217.167794

1.7

58.6

175

0

2

3

8

15

null

0

1

0

1

0

1

2,2-DIFLUOROPROPANE-1,3-DIOL

000428-63-7

95,744

2,2-difluoropropane-1,3-diol

C(C(CO)(F)F)O

InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2

AMCKYDINHDOOCB-UHFFFAOYSA-N

C3H6F2O2

112.08

112.033586

-0.5

40.5

48

0

2

4

2

7

null

0

1

0

1

0

1

2-[2-(DIOCTYLAMINO)-2-OXOETHOXY]ACETIC ACID

135447-09-5

4,534,750

2-[2-(dioctylamino)-2-oxoethoxy]acetic acid

CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O

InChI=1S/C20H39NO4/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19(22)17-25-18-20(23)24/h3-18H2,1-2H3,(H,23,24)

KOHUSHSNNOEPFN-UHFFFAOYSA-N

C20H39NO4

357.5

357.287909

6

66.8

318

0

1

4

18

25

null

0

1

0

1

0

H-BETA-ALA-OTBU.HCL(BETA-ALANINE TERT-BUTYL ESTER HCL)

058620-93-2

16,218,890

tert-butyl 3-aminopropanoate;hydrochloride

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

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

DOMTZTVJNZKUNX-UHFFFAOYSA-N

C7H16ClNO2

181.66

181.086956

null

52.3

115

0

2

3

4

11

null

0

1

0

1

0

1

TERT-BUTYL (2-MERCAPTOETHYL)CARBAMATE(2-(BOC-AMINO)ETHANETHIOL)

067385-09-5

3,017,761

tert-butyl N-(2-sulfanylethyl)carbamate

CC(C)(C)OC(=O)NCCS

InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9)

GSJJCZSHYJNRPN-UHFFFAOYSA-N

C7H15NO2S

177.27

177.08235

1.2

39.3

131

0

2

3

4

11

null

0

1

0

1

0

1

SODIUM TETRATHIONATE DIHYDRATE

013721-29-4

16,218,438

null

O.OS(=O)(=O)SSS(=O)(=O)O.[Na]

InChI=1S/Na.H2O6S4.H2O/c;1-9(2,3)7-8-10(4,5)6;/h;(H,1,2,3)(H,4,5,6);1H2

VUNPLPZHLRVFOI-UHFFFAOYSA-N

H4NaO7S4

267.3

266.873756

null

177

235

0

3

9

3

12

null

0

1

0

1

0

1

1-(METHYLSULPHONYL)ACETONE

005000-46-4

78,695

1-methylsulfonylpropan-2-one

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

InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3

NWEYGXQKFVGUFR-UHFFFAOYSA-N

C4H8O3S

136.17

136.019415

-0.6

59.6

172

0

3

2

8

null

0

1

0

1

0

1

TETRAMETHYLAMMONIUM HYDROGEN SULFATE MONOHYDRATE

207738-07-6

16,212,300

hydrogen sulfate;tetramethylazanium;hydrate

C[N+](C)(C)C.O.OS(=O)(=O)[O-]

InChI=1S/C4H12N.H2O4S.H2O/c2*1-5(2,3)4;/h1-4H3;(H2,1,2,3,4);1H2/q+1;;/p-1

VSJXNAHOWBCQRE-UHFFFAOYSA-M

C4H15NO5S

189.23

189.067094

null

86.8

95

0

2

5

0

11

null

0

1

0

1

0

1

2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL ESTER

027905-45-9

119,747

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate

C=CC(=O)OCCC(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/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2

QUKRIOLKOHUUBM-UHFFFAOYSA-N

C13H7F17O2

518.17

518.017458

6.9

26.3

706

0

19

11

32

null

0

1

0

1

0

1

10-AMINODECANOIC ACID

013108-19-5

83,150

10-aminodecanoic acid

C(CCCCC(=O)O)CCCCN

InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)

XAUQWYHSQICPAZ-UHFFFAOYSA-N

C10H21NO2

187.28

187.157229

-1.6

63.3

126

0

2

3

9

13

null

0

1

0

1

0

1

YTTERBIUM(III) TRIFLATE HYDRATE

252976-51-5

45,075,687

tris(trifluoromethanesulfonate);ytterbium(3+);hydrate

C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Yb+3]

InChI=1S/3CHF3O3S.H2O.Yb/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3

BUJKNFNMGRYZBV-UHFFFAOYSA-K

C3H2F9O10S3Yb

638.3

638.805506

null

198

145

0

1

19

0

26

null

0

1

0

1

0

1

HEXANOIC ACID, 2-METHYLPROPYL ESTER

000105-79-3

7,775

2-methylpropyl hexanoate

CCCCCC(=O)OCC(C)C

InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3

UXUPPWPIGVTVQI-UHFFFAOYSA-N

C10H20O2

172.26

172.14633

3.4

26.3

119

0

2

7

12

null

0

1

0

1

0

1-Pentanol, 2-ethyl-4-methyl-

000106-67-2

7,821

2-ethyl-4-methylpentan-1-ol

CCC(CC(C)C)CO

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

QCHSJPKDWOFACC-UHFFFAOYSA-N

C8H18O

130.23

130.135765

2.4

20.2

59

0

1

4

9

null

0

1

0

1

0

1

0

1

ACETIC ACID, ALUMINUM SALT

000139-12-8

8,757

aluminum triacetate

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

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

WCOATMADISNSBV-UHFFFAOYSA-K

C6H9AlO6

204.11

204.021451

null

120

25

0

6

0

13

null

0

1

0

1

0

1-UNDECANOL, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-EICOSAFLUORO-

000307-70-0

67,548

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol

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)O

InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2

GJYLSFCFHFUODO-UHFFFAOYSA-N

C11H4F20O

532.12

531.994278

6.4

20.2

677

0

1

21

10

32

null

0

1

0

1

0

1

1,1,2-TRIFLUORO-1-BROMO-2-CHLOROETHANE/HALON 1301

000354-06-3

9,628

1-bromo-2-chloro-1,1,2-trifluoroethane

C(C(F)(F)Br)(F)Cl

InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H

KFTODZKBBUMDQB-UHFFFAOYSA-N

C2HBrClF3

197.38

195.89022

2.9

0

66

0

3

1

7

null

0

1

0

1

0

1

PROPANAMIDE, 2,2,3,3,3-PENTAFLUORO-

000354-76-7

67,722

2,2,3,3,3-pentafluoropropanamide

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

InChI=1S/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)

KQTOYEUYHXUEDB-UHFFFAOYSA-N

C3H2F5NO

163.05

163.005655

0.9

43.1

149

0

1

6

1

10

null

0

1

0

1

0

1

BUTANOIC ACID, HEPTAFLUORO-, METHYL ESTER

000356-24-1

67,741

methyl 2,2,3,3,4,4,4-heptafluorobutanoate

COC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3

MRPUVAKBXDBGJQ-UHFFFAOYSA-N

C5H3F7O2

228.06

228.002127

2.6

26.3

231

0

9

3

14

null

0

1

0

1

0

1

CARBAMIC ACID, METHYL ESTER

000598-55-0

11,722

methyl carbamate

COC(=O)N

InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)

GTCAXTIRRLKXRU-UHFFFAOYSA-N

C2H5NO2

75.07

75.032028

-0.7

52.3

42

0

1

2

1

5

null

351 °F at 760 mmHg (NTP, 1992)

0

1

0

1

0

1

0

1

CARBAMIC ACID, ETHYL-, ETHYL ESTER

000623-78-9

12,195

ethyl N-ethylcarbamate

CCNC(=O)OCC

InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)

GZXSDYYWLZERLF-UHFFFAOYSA-N

C5H11NO2

117.15

117.078979

0.7

38.3

72

0

1

2

3

8

null

176 °C AT 760 MM HG

0

1

0

1

0

1

0

1

OCTANOIC ACID, PROPYL ESTER

000624-13-5

69,351

propyl octanoate

CCCCCCCC(=O)OCCC

InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3

IDHBLVYDNJDWNO-UHFFFAOYSA-N

C11H22O2

186.29

186.16198

4

26.3

121

0

2

9

13

null

0

1

0

1

0

1

OCTANE, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-HEXADECAFLUORO-8-IODO-2-(TRIFLUOROMETH

000865-77-0

70,082

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

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

InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29

VRJGWRPPKVEMMR-UHFFFAOYSA-N

C9F19I

595.97

595.87413

7.5

0

594

0

19

6

29

null

0

1

0

1

0

1

3,6,9,12-TETRAAZATETRADECANEDIOIC ACID, 3,6,9,12-TETRAKIS(CARBOXYMETHYL)-

000869-52-3

70,088

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid

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

InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)

RAEOEMDZDMCHJA-UHFFFAOYSA-N

C18H30N4O12

494.5

494.186022

-11.2

237

640

0

6

16

21

34

null

0

1

0

1

0

1