Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

151 – 165 of 114,927 results

151

Tributyltin trifluoromethanesulfonate, 96%

CAS: 68725-14-4 Molecular Formula: C₁₃H₂₇F₃O₃SSn Molecular Weight (g/mol): 439.13 MDL Number: MFCD00043324

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Specifications

CAS	68725-14-4
Molecular Weight (g/mol)	439.13
MDL Number	MFCD00043324
Molecular Formula	C₁₃H₂₇F₃O₃SSn

152

1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct, 97%

CAS: 119752-83-9 Molecular Formula: C₆H₁₂N₂O₄S₂ Molecular Weight (g/mol): 240.3 InChI Key: RWISEVUOFYXWFO-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulfinate,1,4-diazoniabicyclo 2.2.2 octane-1,4-disulfinate,1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulf,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct,1,4-diazoniabicyclo 2.2.2 octane-1,4-diylbis dioxosulfur vi,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct sulfur, elemental analysis PubChem CID: 75176251 IUPAC Name: 1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate SMILES: C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]

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Specifications

PubChem CID	75176251
CAS	119752-83-9
Molecular Weight (g/mol)	240.3
SMILES	C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]
Synonym	1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulfinate,1,4-diazoniabicyclo 2.2.2 octane-1,4-disulfinate,1,4-diazabicyclo 2.2.2 octane-1,4-diium-1,4-disulf,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct,1,4-diazoniabicyclo 2.2.2 octane-1,4-diylbis dioxosulfur vi,1,4-diazabicyclo 2.2.2 octane bis sulfur dioxide adduct sulfur, elemental analysis
IUPAC Name	1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
InChI Key	RWISEVUOFYXWFO-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂N₂O₄S₂

153

Isoconazole nitrate, 99%, Thermo Scientific™

CAS: 24168-96-5 Molecular Formula: C18H15Cl4N3O4 Molecular Weight (g/mol): 479.14 MDL Number: MFCD01721647 InChI Key: NNGQLSIGRSTLLU-UHFFFAOYNA-N Synonym: isoconazole nitrate,adestan g100,travogyn,fazol,isoconazole; nitric acid,isoconazole nitrate jan,1-2,4-dichloro-beta-2,6-dichlorobenzyloxy phenethyl imidazole nitrate,1-2-2,6-dichlorobenzyl oxy-2-2,4-dichlorophenyl ethyl imidazole nitrate PubChem CID: 159968 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C(Cl)=C1

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Specifications

PubChem CID	159968
CAS	24168-96-5
Molecular Weight (g/mol)	479.14
MDL Number	MFCD01721647
SMILES	O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C(Cl)=C1
Synonym	isoconazole nitrate,adestan g100,travogyn,fazol,isoconazole; nitric acid,isoconazole nitrate jan,1-2,4-dichloro-beta-2,6-dichlorobenzyloxy phenethyl imidazole nitrate,1-2-2,6-dichlorobenzyl oxy-2-2,4-dichlorophenyl ethyl imidazole nitrate
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
InChI Key	NNGQLSIGRSTLLU-UHFFFAOYNA-N
Molecular Formula	C18H15Cl4N3O4

154

Melphalan, 94%

CAS: 148-82-3 Molecular Formula: C₁₃H₁₈Cl₂N₂O₂ Molecular Weight (g/mol): 305.2 InChI Key: SGDBTWWWUNNDEQ-LBPRGKRZSA-N Synonym: melphalan,alkeran,melfalan,phenylalanine mustard,l-sarcolysine,l-pam,l-sarcolysin,l-phenylalanine mustard,levofalan,p-l-sarcolysin PubChem CID: 460612 ChEBI: CHEBI:28876 IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl

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Specifications

PubChem CID	460612
CAS	148-82-3
Molecular Weight (g/mol)	305.2
ChEBI	CHEBI:28876
SMILES	C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
Synonym	melphalan,alkeran,melfalan,phenylalanine mustard,l-sarcolysine,l-pam,l-sarcolysin,l-phenylalanine mustard,levofalan,p-l-sarcolysin
IUPAC Name	(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
InChI Key	SGDBTWWWUNNDEQ-LBPRGKRZSA-N
Molecular Formula	C₁₃H₁₈Cl₂N₂O₂

155

L-Glutamic acid diethyl ester hydrochloride, 98%, Thermo Scientific™

CAS: 1118-89-4 Molecular Formula: C₉H₁₇NO₄·HCl Molecular Weight (g/mol): 239.7 InChI Key: WSEQLMQNPBNMSL-FJXQXJEOSA-N Synonym: l-glutamic acid diethyl ester hydrochloride,diethyl l-glutamate hydrochloride,h-glu oet-oet.hcl,diethyl glutamate hydrochloride,h-glu oet-oet hcl,s-diethyl 2-aminopentanedioate hydrochloride,diethyl l-glutaminate hydrochloride,1,5-diethyl 2s-2-aminopentanedioate hydrochloride,l-glutamic acid, diethyl ester, hydrochloride,diethyl 2s-2-aminopentanedioate hydrochloride PubChem CID: 73960 IUPAC Name: diethyl (2S)-2-aminopentanedioate;hydrochloride SMILES: CCOC(=O)CCC(C(=O)OCC)N.Cl

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Specifications

PubChem CID	73960
CAS	1118-89-4
Molecular Weight (g/mol)	239.7
SMILES	CCOC(=O)CCC(C(=O)OCC)N.Cl
Synonym	l-glutamic acid diethyl ester hydrochloride,diethyl l-glutamate hydrochloride,h-glu oet-oet.hcl,diethyl glutamate hydrochloride,h-glu oet-oet hcl,s-diethyl 2-aminopentanedioate hydrochloride,diethyl l-glutaminate hydrochloride,1,5-diethyl 2s-2-aminopentanedioate hydrochloride,l-glutamic acid, diethyl ester, hydrochloride,diethyl 2s-2-aminopentanedioate hydrochloride
IUPAC Name	diethyl (2S)-2-aminopentanedioate;hydrochloride
InChI Key	WSEQLMQNPBNMSL-FJXQXJEOSA-N
Molecular Formula	C₉H₁₇NO₄·HCl

156

Vecuronium bromide, 98%, Thermo Scientific Chemicals

CAS: 50700-72-6 Molecular Formula: C34H57BrN2O4 Molecular Weight (g/mol): 637.74 InChI Key: VEPSYABRBFXYIB-PWXDFCLTSA-M IUPAC Name: 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium bromide SMILES: [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1

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Specifications

CAS	50700-72-6
Molecular Weight (g/mol)	637.74
SMILES	[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
IUPAC Name	1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium bromide
InChI Key	VEPSYABRBFXYIB-PWXDFCLTSA-M
Molecular Formula	C34H57BrN2O4

157

Thermo Scientific Chemicals Rifapentine, 95%

CAS: 61379-65-5 Molecular Formula: C₄₇H₆₄N₄O₁₂ Molecular Weight (g/mol): 877.03 InChI Key: RISDZDVHYCURHD-QLWTZYDESA-N PubChem CID: 131846483

Pricing & Availability
Specifications

PubChem CID	131846483
CAS	61379-65-5
Molecular Weight (g/mol)	877.03
InChI Key	RISDZDVHYCURHD-QLWTZYDESA-N
Molecular Formula	C₄₇H₆₄N₄O₁₂

158

Thermo Scientific Chemicals Lomustine

CAS: 13010-47-4 Molecular Formula: C9H16ClN3O2 Molecular Weight (g/mol): 233.70 MDL Number: MFCD00012392 InChI Key: GQYIWUVLTXOXAJ-UHFFFAOYSA-N IUPAC Name: 3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea SMILES: ClCCN(N=O)C(=O)NC1CCCCC1

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Specifications

CAS	13010-47-4
Molecular Weight (g/mol)	233.70
MDL Number	MFCD00012392
SMILES	ClCCN(N=O)C(=O)NC1CCCCC1
IUPAC Name	3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea
InChI Key	GQYIWUVLTXOXAJ-UHFFFAOYSA-N
Molecular Formula	C9H16ClN3O2

159

L(+)-Penicillamine, 98%

CAS: 1113-41-3 Molecular Formula: C₅H₁₁NO₂S Molecular Weight (g/mol): 149.21 MDL Number: MFCD00064303 InChI Key: VVNCNSJFMMFHPL-GSVOUGTGSA-N Synonym: l-penicillamine,3-mercapto-l-valine,penicillamine l-form,l-+-beta-mercaptovaline,l-pen,2r-2-amino-3-methyl-3-sulfanylbutanoic acid,3-sulfanyl-l-valine,h-pen-oh,unii-no1yib7oig,3,3-dimethyl-l-cysteine PubChem CID: 92863 ChEBI: CHEBI:50869 IUPAC Name: (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid SMILES: CC(C)(C(C(=O)O)N)S

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Specifications

PubChem CID	92863
CAS	1113-41-3
Molecular Weight (g/mol)	149.21
ChEBI	CHEBI:50869
MDL Number	MFCD00064303
SMILES	CC(C)(C(C(=O)O)N)S
Synonym	l-penicillamine,3-mercapto-l-valine,penicillamine l-form,l-+-beta-mercaptovaline,l-pen,2r-2-amino-3-methyl-3-sulfanylbutanoic acid,3-sulfanyl-l-valine,h-pen-oh,unii-no1yib7oig,3,3-dimethyl-l-cysteine
IUPAC Name	(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid
InChI Key	VVNCNSJFMMFHPL-GSVOUGTGSA-N
Molecular Formula	C₅H₁₁NO₂S

160

2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid, 99%

CAS: 2154-67-8 Molecular Formula: C₉H₁₄NO₃ Molecular Weight (g/mol): 184.22 MDL Number: MFCD00041847 Synonym: 3-Carboxy-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy

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Specifications

CAS	2154-67-8
Molecular Weight (g/mol)	184.22
MDL Number	MFCD00041847
Synonym	3-Carboxy-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy
Molecular Formula	C₉H₁₄NO₃

161

Thermo Scientific Chemicals 4-Borono-L-phenylalanine, 97%

CAS: 76410-58-7 Molecular Formula: C9H12BNO4 Molecular Weight (g/mol): 209.01 MDL Number: MFCD01075172 InChI Key: NFIVJOSXJDORSP-QMMMGPOBSA-N Synonym: 4-borono-l-phenylalanine,s-2-amino-3-4-boronophenyl propanoic acid,4-boronophenylalanine,p-boronophenylalanine,para-boronophenylalanine,10b-bpa,unii-jsm63lv5md,para-borono-l-phenylalanine,l-phe b oh 2,l-4-boronophenylalanine PubChem CID: 150315 IUPAC Name: (2S)-2-amino-3-(4-boronophenyl)propanoic acid SMILES: N[C@@H](CC1=CC=C(C=C1)B(O)O)C(O)=O

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Specifications

PubChem CID	150315
CAS	76410-58-7
Molecular Weight (g/mol)	209.01
MDL Number	MFCD01075172
SMILES	N[C@@H](CC1=CC=C(C=C1)B(O)O)C(O)=O
Synonym	4-borono-l-phenylalanine,s-2-amino-3-4-boronophenyl propanoic acid,4-boronophenylalanine,p-boronophenylalanine,para-boronophenylalanine,10b-bpa,unii-jsm63lv5md,para-borono-l-phenylalanine,l-phe b oh 2,l-4-boronophenylalanine
IUPAC Name	(2S)-2-amino-3-(4-boronophenyl)propanoic acid
InChI Key	NFIVJOSXJDORSP-QMMMGPOBSA-N
Molecular Formula	C9H12BNO4

162

Barium chloranilate trihydrate

CAS: 32458-20-1 Molecular Formula: C6H8BaCl2O7 Molecular Weight (g/mol): 400.35 MDL Number: MFCD00078327 InChI Key: JFBLKYVZQCFPJE-UHFFFAOYSA-N Synonym: barium chloranilate, reag PubChem CID: 131877766 IUPAC Name: barium;2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione;trihydrate SMILES: O.O.O.[Ba].OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O

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Specifications

PubChem CID	131877766
CAS	32458-20-1
Molecular Weight (g/mol)	400.35
MDL Number	MFCD00078327
SMILES	O.O.O.[Ba].OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O
Synonym	barium chloranilate, reag
IUPAC Name	barium;2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione;trihydrate
InChI Key	JFBLKYVZQCFPJE-UHFFFAOYSA-N
Molecular Formula	C6H8BaCl2O7

163

Ethyl isocyanatoacetate, 98%

CAS: 2949-22-6 Molecular Formula: C5H7NO3 Molecular Weight (g/mol): 129.12 MDL Number: MFCD00002040 InChI Key: DUVOZUPPHBRJJO-UHFFFAOYSA-N Synonym: ethyl isocyanatoacetate,isocyanatoacetic acid ethyl ester,acetic acid, isocyanato-, ethyl ester,carbethoxymethyl isocyanate,isocyanatoethyl acetate,ethoxycarbonylmethyl isocyanate,ethylisocyanatoacetate,ethyl glycolate isocyanate,ethyl n-oxomethylene glycinate,acetic acid,2-isocyanato-, ethyl ester PubChem CID: 76283 IUPAC Name: ethyl 2-isocyanatoacetate SMILES: CCOC(=O)CN=C=O

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Specifications

PubChem CID	76283
CAS	2949-22-6
Molecular Weight (g/mol)	129.12
MDL Number	MFCD00002040
SMILES	CCOC(=O)CN=C=O
Synonym	ethyl isocyanatoacetate,isocyanatoacetic acid ethyl ester,acetic acid, isocyanato-, ethyl ester,carbethoxymethyl isocyanate,isocyanatoethyl acetate,ethoxycarbonylmethyl isocyanate,ethylisocyanatoacetate,ethyl glycolate isocyanate,ethyl n-oxomethylene glycinate,acetic acid,2-isocyanato-, ethyl ester
IUPAC Name	ethyl 2-isocyanatoacetate
InChI Key	DUVOZUPPHBRJJO-UHFFFAOYSA-N
Molecular Formula	C5H7NO3

164

D(-)-isovaline, 97%

CAS: 3059-97-0 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00800497 InChI Key: GCHPUFAZSONQIV-RXMQYKEDSA-N Synonym: d-isovaline,l-isovaline,s-2-amino-2-methylbutanoic acid,l-iso-valine,unii-ebv7h5w26h,ebv7h5w26h,isovaline, l,d--isovaline,2s-2-amino-2-methylbutanoic acid,s-2-amino-2-methylbutyric acid PubChem CID: 6971276 IUPAC Name: (2S)-2-amino-2-methylbutanoic acid SMILES: CC[C@@](C)([NH3+])C([O-])=O

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Specifications

PubChem CID	6971276
CAS	3059-97-0
Molecular Weight (g/mol)	117.15
MDL Number	MFCD00800497
SMILES	CC[C@@](C)([NH3+])C([O-])=O
Synonym	d-isovaline,l-isovaline,s-2-amino-2-methylbutanoic acid,l-iso-valine,unii-ebv7h5w26h,ebv7h5w26h,isovaline, l,d--isovaline,2s-2-amino-2-methylbutanoic acid,s-2-amino-2-methylbutyric acid
IUPAC Name	(2S)-2-amino-2-methylbutanoic acid
InChI Key	GCHPUFAZSONQIV-RXMQYKEDSA-N
Molecular Formula	C5H11NO2

165

2,2-Dimethylcyclopentanone, 97%

CAS: 4541-32-6 Molecular Formula: C₇H₁₂O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00049164 InChI Key: FTGZMZBYOHMEPS-UHFFFAOYSA-N Synonym: 2,2-dimethylcyclopentanone,cyclopentanone, 2,2-dimethyl,cyclopentanone, dimethyl,zlchem 1228,2,2 dimethylcyclopentanone,2,2-dimethyl-cyclopentanone,2,2-dimethylcyclo pentanone,2,2-dimethylcyclo-pentanone,2,2-dimethyl-cyclopentan-1-one PubChem CID: 138286 IUPAC Name: 2,2-dimethylcyclopentan-1-one SMILES: CC1(CCCC1=O)C

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Specifications

PubChem CID	138286
CAS	4541-32-6
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00049164
SMILES	CC1(CCCC1=O)C
Synonym	2,2-dimethylcyclopentanone,cyclopentanone, 2,2-dimethyl,cyclopentanone, dimethyl,zlchem 1228,2,2 dimethylcyclopentanone,2,2-dimethyl-cyclopentanone,2,2-dimethylcyclo pentanone,2,2-dimethylcyclo-pentanone,2,2-dimethyl-cyclopentan-1-one
IUPAC Name	2,2-dimethylcyclopentan-1-one
InChI Key	FTGZMZBYOHMEPS-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O

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