Unclassified Organic Compounds

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

151 – 165 of 114,927 results

151

N,N-Diethylpropargylamine, 97%

CAS: 4079-68-9 Molecular Formula: C₇H₁₃N Molecular Weight (g/mol): 111.18 InChI Key: JZJXKEWVUBVOEH-UHFFFAOYSA-N PubChem CID: 20010

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Specifications

PubChem CID	20010
CAS	4079-68-9
Molecular Weight (g/mol)	111.18
InChI Key	JZJXKEWVUBVOEH-UHFFFAOYSA-N
Molecular Formula	C₇H₁₃N

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

Tripropylene glycol, 99%, pure, mixture of isomers

CAS: 24800-44-0 Molecular Formula: C₉H₂₀O₄ Molecular Weight (g/mol): 192.25

Pricing & Availability
Specifications

CAS	24800-44-0
Molecular Weight (g/mol)	192.25
Molecular Formula	C₉H₂₀O₄

155

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide methiodide, 98%

CAS: 22572-40-3 Molecular Formula: C₉H₂₀IN₃ Molecular Weight (g/mol): 297.18 MDL Number: MFCD00011833 InChI Key: JHMDMCSGQQLHNA-UHFFFAOYSA-N Synonym: 3-ethylimino methylidene amino-n,n,n-trimethylpropan-1-aminium,1-3-trimethylaminio propyl-3-ethylcarbodiimide,3-ethyliminomethylideneamino propyl-trimethylazanium,1-3-dimethylaminopropyl-3-ethylcarbodiimide methiodide,1-3-dimethylaminopropyl-3-ethylcarbodiimide, polymer-bound,3-ethylimino methylidene amino propyl trimethylazanium,1-3-dimethylaminopropyl-3-ethylcarbodiimide, polymer-bound, 200-400 mesh, 2 % cross-linked with divinylbenzene PubChem CID: 122243 IUPAC Name: 3-(ethyliminomethylideneamino)propyl-trimethylazanium SMILES: CCN=C=NCCC[N+](C)(C)C

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Specifications

PubChem CID	122243
CAS	22572-40-3
Molecular Weight (g/mol)	297.18
MDL Number	MFCD00011833
SMILES	CCN=C=NCCC[N+](C)(C)C
Synonym	3-ethylimino methylidene amino-n,n,n-trimethylpropan-1-aminium,1-3-trimethylaminio propyl-3-ethylcarbodiimide,3-ethyliminomethylideneamino propyl-trimethylazanium,1-3-dimethylaminopropyl-3-ethylcarbodiimide methiodide,1-3-dimethylaminopropyl-3-ethylcarbodiimide, polymer-bound,3-ethylimino methylidene amino propyl trimethylazanium,1-3-dimethylaminopropyl-3-ethylcarbodiimide, polymer-bound, 200-400 mesh, 2 % cross-linked with divinylbenzene
IUPAC Name	3-(ethyliminomethylideneamino)propyl-trimethylazanium
InChI Key	JHMDMCSGQQLHNA-UHFFFAOYSA-N
Molecular Formula	C₉H₂₀IN₃

156

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

157

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

158

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

Pricing & Availability
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

159

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

Pricing & Availability
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

160

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

161

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

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Specifications

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

162

Thermo Scientific Chemicals Coenzyme B12

CAS: 13870-90-1 Molecular Formula: C72H100CoN18O17P Molecular Weight (g/mol): 1579.61 InChI Key: OAJLVMGLJZXSGX-UHFFFAOYNA-L IUPAC Name: cobalt(3+) 4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanide SMILES: [Co+3].[CH2-]C1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]C1=C(C)C1=NC(=CC3=NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=CC(C)=C(C)C=C12

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Specifications

CAS	13870-90-1
Molecular Weight (g/mol)	1579.61
SMILES	[Co+3].[CH2-]C1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]C1=C(C)C1=NC(=CC3=NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=CC(C)=C(C)C=C12
IUPAC Name	cobalt(3+) 4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanide
InChI Key	OAJLVMGLJZXSGX-UHFFFAOYNA-L
Molecular Formula	C72H100CoN18O17P

163

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

164

1,4-Cyclohexanedione, 98%

CAS: 637-88-7 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 InChI Key: DCZFGQYXRKMVFG-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar PubChem CID: 12511 ChEBI: CHEBI:28286 IUPAC Name: cyclohexane-1,4-dione SMILES: C1CC(=O)CCC1=O

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Specifications

PubChem CID	12511
CAS	637-88-7
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:28286
SMILES	C1CC(=O)CCC1=O
Synonym	1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar
IUPAC Name	cyclohexane-1,4-dione
InChI Key	DCZFGQYXRKMVFG-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

165

Cyclobutanone, 98+%

CAS: 1191-95-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00001332 InChI Key: SHQSVMDWKBRBGB-UHFFFAOYSA-N Synonym: unii-6pf2sh405u,cyclobutyloxy,cyclobutanone, 98+%,cyclobutanon,cylcobutanone,cylobutanone,3-cyclobutanone,1-oxocyclobutane,cyclobutanone,pubchem9021 PubChem CID: 14496 IUPAC Name: cyclobutanone SMILES: O=C1CCC1

Pricing & Availability
Specifications

PubChem CID	14496
CAS	1191-95-3
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00001332
SMILES	O=C1CCC1
Synonym	unii-6pf2sh405u,cyclobutyloxy,cyclobutanone, 98+%,cyclobutanon,cylcobutanone,cylobutanone,3-cyclobutanone,1-oxocyclobutane,cyclobutanone,pubchem9021
IUPAC Name	cyclobutanone
InChI Key	SHQSVMDWKBRBGB-UHFFFAOYSA-N
Molecular Formula	C4H6O

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