Unclassified Organic Compounds

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

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3,136 – 3,150 of 202,906 results

3,136

N-Benzylnortropinone 95.0+%, TCI America™

CAS: 28957-72-4 Molecular Formula: C14H17NO Molecular Weight (g/mol): 215.30 MDL Number: MFCD00151640 InChI Key: RSUHKGOVXMXCND-UHFFFAOYNA-N Synonym: 8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one PubChem CID: 119846 IUPAC Name: 8-benzyl-8-azabicyclo[3.2.1]octan-3-one SMILES: O=C1CC2CCC(C1)N2CC1=CC=CC=C1

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Specifications

PubChem CID	119846
CAS	28957-72-4
Molecular Weight (g/mol)	215.30
MDL Number	MFCD00151640
SMILES	O=C1CC2CCC(C1)N2CC1=CC=CC=C1
Synonym	8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one
IUPAC Name	8-benzyl-8-azabicyclo[3.2.1]octan-3-one
InChI Key	RSUHKGOVXMXCND-UHFFFAOYNA-N
Molecular Formula	C14H17NO

3,137

Methyl 3,4,5-Trimethoxybenzoate 99.0+%, TCI America™

CAS: 1916-07-0 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00008431 InChI Key: KACHFMOHOPLTNX-UHFFFAOYSA-N Synonym: trimethylgallic acid methyl ester,methyl tri-o-methylgallate,benzoic acid, 3,4,5-trimethoxy-, methyl ester,3,4,5-trimethoxybenzoic acid methyl ester,unii-qfp1lsc7tk,3,4,5-trimethoxybenzoic acid, methyl ester,qfp1lsc7tk,methyl3,4,5-trimethoxybenzoate,methyl 3,4,5-trimethoxy benzoate,acmc-209ev8 PubChem CID: 15956 IUPAC Name: methyl 3,4,5-trimethoxybenzoate SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OC

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PubChem CID	15956
CAS	1916-07-0
Molecular Weight (g/mol)	226.228
MDL Number	MFCD00008431
SMILES	COC1=CC(=CC(=C1OC)OC)C(=O)OC
Synonym	trimethylgallic acid methyl ester,methyl tri-o-methylgallate,benzoic acid, 3,4,5-trimethoxy-, methyl ester,3,4,5-trimethoxybenzoic acid methyl ester,unii-qfp1lsc7tk,3,4,5-trimethoxybenzoic acid, methyl ester,qfp1lsc7tk,methyl3,4,5-trimethoxybenzoate,methyl 3,4,5-trimethoxy benzoate,acmc-209ev8
IUPAC Name	methyl 3,4,5-trimethoxybenzoate
InChI Key	KACHFMOHOPLTNX-UHFFFAOYSA-N
Molecular Formula	C11H14O5

3,138

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-leucine 98.0+%, TCI America™

CAS: 103478-62-2 Molecular Formula: C22H25NO4 Molecular Weight (g/mol): 367.45 MDL Number: MFCD00151933 InChI Key: BUJQSIPFDWLNDC-GNLPSFAGNA-N Synonym: fmoc-n-methyl-l-leucine,fmoc-n-me-leu-oh,n-fmoc-n-methyl-l-leucine,fmoc-meleu-oh,l-leucine, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,2s-2-9h-fluoren-9-ylmethoxycarbonyl methyl amino-4-methyl-pentanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino-4-methylpentanoic acid,pubchem13155,fmoc-n-a-methyl-l-leucine,n-methyl-n-fmoc-l-leu-oh PubChem CID: 7015835 IUPAC Name: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid SMILES: CC(C)C[C@H](N(C)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

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Specifications

PubChem CID	7015835
CAS	103478-62-2
Molecular Weight (g/mol)	367.45
MDL Number	MFCD00151933
SMILES	CC(C)C[C@H](N(C)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O
Synonym	fmoc-n-methyl-l-leucine,fmoc-n-me-leu-oh,n-fmoc-n-methyl-l-leucine,fmoc-meleu-oh,l-leucine, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,2s-2-9h-fluoren-9-ylmethoxycarbonyl methyl amino-4-methyl-pentanoic acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino-4-methylpentanoic acid,pubchem13155,fmoc-n-a-methyl-l-leucine,n-methyl-n-fmoc-l-leu-oh
IUPAC Name	(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid
InChI Key	BUJQSIPFDWLNDC-GNLPSFAGNA-N
Molecular Formula	C22H25NO4

3,139

Methyl Pipecolinate Hydrochloride 98.0+%, TCI America™

CAS: 32559-18-5 Molecular Formula: C7H14ClNO2 Molecular Weight (g/mol): 179.644 MDL Number: MFCD22123553 InChI Key: APCHKWZTSCBBJX-UHFFFAOYSA-N Synonym: Pipecolinic Acid Methyl Ester Hydrochloride, Methyl 2-Piperidinecarboxylate Hydrochloride, 2-Piperidinecarboxylic Acid Methyl Ester Hydrochloride PubChem CID: 13246231 IUPAC Name: methyl piperidine-2-carboxylate;hydrochloride SMILES: COC(=O)C1CCCCN1.Cl

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Specifications

PubChem CID	13246231
CAS	32559-18-5
Molecular Weight (g/mol)	179.644
MDL Number	MFCD22123553
SMILES	COC(=O)C1CCCCN1.Cl
Synonym	Pipecolinic Acid Methyl Ester Hydrochloride, Methyl 2-Piperidinecarboxylate Hydrochloride, 2-Piperidinecarboxylic Acid Methyl Ester Hydrochloride
IUPAC Name	methyl piperidine-2-carboxylate;hydrochloride
InChI Key	APCHKWZTSCBBJX-UHFFFAOYSA-N
Molecular Formula	C7H14ClNO2

3,140

2-Benzylidenecyclohexanone 95.0+%, TCI America™

CAS: 5682-83-7 Molecular Formula: C13H14O Molecular Weight (g/mol): 186.254 MDL Number: MFCD00070483 InChI Key: VCDPHYIZVFJQCD-BENRWUELSA-N Synonym: 2-benzylidenecyclohexanone,cyclohexanone, 2-benzylidene,cyclohexanone, 2-phenylmethylene,2-benzylidenecyclohexan-1-one,2z-2-phenylmethylidene cyclohexan-1-one,z-2-benzylidenecyclohexanone,2-phenylmethylene cyclohexan-1-one,2z-2-benzylidenecyclohexanone,2z-2-benzylidenecyclohexan-1-one PubChem CID: 5383302 IUPAC Name: (2Z)-2-benzylidenecyclohexan-1-one SMILES: C1CCC(=O)C(=CC2=CC=CC=C2)C1

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Specifications

PubChem CID	5383302
CAS	5682-83-7
Molecular Weight (g/mol)	186.254
MDL Number	MFCD00070483
SMILES	C1CCC(=O)C(=CC2=CC=CC=C2)C1
Synonym	2-benzylidenecyclohexanone,cyclohexanone, 2-benzylidene,cyclohexanone, 2-phenylmethylene,2-benzylidenecyclohexan-1-one,2z-2-phenylmethylidene cyclohexan-1-one,z-2-benzylidenecyclohexanone,2-phenylmethylene cyclohexan-1-one,2z-2-benzylidenecyclohexanone,2z-2-benzylidenecyclohexan-1-one
IUPAC Name	(2Z)-2-benzylidenecyclohexan-1-one
InChI Key	VCDPHYIZVFJQCD-BENRWUELSA-N
Molecular Formula	C13H14O

3,141

Borneol (contains ca. 20% Isoborneol) 70.0+%, TCI America™

CAS: 507-70-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00066426 InChI Key: DTGKSKDOIYIVQL-HHCGNCNQSA-N PubChem CID: 44630107 IUPAC Name: (1R,3S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C2CCC1(C(C2)O)C)C

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Specifications

PubChem CID	44630107
CAS	507-70-0
Molecular Weight (g/mol)	154.253
MDL Number	MFCD00066426
SMILES	CC1(C2CCC1(C(C2)O)C)C
IUPAC Name	(1R,3S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
InChI Key	DTGKSKDOIYIVQL-HHCGNCNQSA-N
Molecular Formula	C10H18O

3,142

N-Acetyl-DL-alanine 98.0+%, TCI America™

CAS: 1115-69-1 Molecular Formula: C5H9NO3 Molecular Weight (g/mol): 131.131 MDL Number: MFCD00037238 InChI Key: KTHDTJVBEPMMGL-UHFFFAOYSA-N Synonym: n-acetyl-dl-alanine,ac-dl-ala-oh,2-acetylaminopropionic acid,n-acetylalanine,acetyl-dl-alanine,dl-alanine, n-acetyl,2-acetylamino-propionic acid,n-acetyl-s-alanine,n-alpha-acetyl-dl-alanine,n-acetyl-dl-2-aminopropionic acid PubChem CID: 7345 IUPAC Name: 2-acetamidopropanoic acid SMILES: CC(C(=O)O)NC(=O)C

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Specifications

PubChem CID	7345
CAS	1115-69-1
Molecular Weight (g/mol)	131.131
MDL Number	MFCD00037238
SMILES	CC(C(=O)O)NC(=O)C
Synonym	n-acetyl-dl-alanine,ac-dl-ala-oh,2-acetylaminopropionic acid,n-acetylalanine,acetyl-dl-alanine,dl-alanine, n-acetyl,2-acetylamino-propionic acid,n-acetyl-s-alanine,n-alpha-acetyl-dl-alanine,n-acetyl-dl-2-aminopropionic acid
IUPAC Name	2-acetamidopropanoic acid
InChI Key	KTHDTJVBEPMMGL-UHFFFAOYSA-N
Molecular Formula	C5H9NO3

3,143

tert-Butyldiphenylsilane 98.0+%, TCI America™

CAS: 33729-92-9 Molecular Formula: C16H20Si

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Specifications

CAS	33729-92-9
Molecular Formula	C16H20Si

3,144

D-Leucine Benzyl Ester p-Toluenesulfonate 98.0+%, TCI America™

CAS: 17664-93-6 Molecular Formula: C20H27NO5S Molecular Weight (g/mol): 393.498 MDL Number: MFCD00066116 InChI Key: QTQGHKVYLQBJLO-UTONKHPSSA-N Synonym: h-d-leu-obzl.tosoh,d-leucine benzyl ester tosylate,r-benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate,d-leucine benzyl ester p-toluenesulfonate,h-d-leu-obzl p-tosylate,h-d-leu-obzl tos,d-leucinebenzylestertosylate,benzyl 2r-2-amino-4-methylpentanoate; para-toluene sulfonate,h-d-leu-obzl?os,h-d-leu-obzl.tos PubChem CID: 44629929 IUPAC Name: benzyl (2R)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)N

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Specifications

PubChem CID	44629929
CAS	17664-93-6
Molecular Weight (g/mol)	393.498
MDL Number	MFCD00066116
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)N
Synonym	h-d-leu-obzl.tosoh,d-leucine benzyl ester tosylate,r-benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate,d-leucine benzyl ester p-toluenesulfonate,h-d-leu-obzl p-tosylate,h-d-leu-obzl tos,d-leucinebenzylestertosylate,benzyl 2r-2-amino-4-methylpentanoate; para-toluene sulfonate,h-d-leu-obzl?os,h-d-leu-obzl.tos
IUPAC Name	benzyl (2R)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid
InChI Key	QTQGHKVYLQBJLO-UTONKHPSSA-N
Molecular Formula	C20H27NO5S

3,145

[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I) 98.0+%, TCI America™

CAS: 920739-11-3 Molecular Formula: C42H48CuN2O2 Molecular Weight (g/mol): 676.40 MDL Number: MFCD12545959 InChI Key: QEXNUQSCWMWURE-UHFFFAOYSA-N PubChem CID: 91659139 IUPAC Name: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene 3-hydroxy-1,3-diphenylprop-2-en-1-one copper SMILES: [Cu].OC(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.CC(C)C1=CC=CC(C(C)C)=C1N1[C]N(C=C1)C1=C(C=CC=C1C(C)C)C(C)C

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Specifications

PubChem CID	91659139
CAS	920739-11-3
Molecular Weight (g/mol)	676.40
MDL Number	MFCD12545959
SMILES	[Cu].OC(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.CC(C)C1=CC=CC(C(C)C)=C1N1[C]N(C=C1)C1=C(C=CC=C1C(C)C)C(C)C
IUPAC Name	1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene 3-hydroxy-1,3-diphenylprop-2-en-1-one copper
InChI Key	QEXNUQSCWMWURE-UHFFFAOYSA-N
Molecular Formula	C42H48CuN2O2

3,146

N-(m-Toluoyl)glycine 98.0+%, TCI America™

CAS: 27115-49-7 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00044399 InChI Key: YKAKNMHEIJUKEX-UHFFFAOYSA-N Synonym: 3-methylhippuric acid,m-methylhippuric acid,n-m-toluoyl glycine,m-toluric acid,n-3-methylbenzoyl glycine,3-methylbenzoylglycine,glycine, n-3-methylbenzoyl,meta-methylhippuric acid,hippuric acid, m-methyl,3-methyl hippuric acid PubChem CID: 99223 ChEBI: CHEBI:68500 IUPAC Name: 2-[(3-methylphenyl)formamido]acetic acid SMILES: CC1=CC=CC(=C1)C(=O)NCC(O)=O

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Specifications

PubChem CID	99223
CAS	27115-49-7
Molecular Weight (g/mol)	193.20
ChEBI	CHEBI:68500
MDL Number	MFCD00044399
SMILES	CC1=CC=CC(=C1)C(=O)NCC(O)=O
Synonym	3-methylhippuric acid,m-methylhippuric acid,n-m-toluoyl glycine,m-toluric acid,n-3-methylbenzoyl glycine,3-methylbenzoylglycine,glycine, n-3-methylbenzoyl,meta-methylhippuric acid,hippuric acid, m-methyl,3-methyl hippuric acid
IUPAC Name	2-[(3-methylphenyl)formamido]acetic acid
InChI Key	YKAKNMHEIJUKEX-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

3,147

Lithium Nonafluoro-1-butanesulfonate 95.0+%, TCI America™

CAS: 131651-65-5 Molecular Formula: C4F9LiO3S Molecular Weight (g/mol): 306.027 MDL Number: MFCD03094160 InChI Key: FEDFHMISXKDOJI-UHFFFAOYSA-M Synonym: Lithium Perfluoro-1-butanesulfonate, Nonafluoro-1-butanesulfonic Acid Lithium Salt, Perfluoro-1-butanesulfonic Acid Lithium Salt PubChem CID: 23681910 IUPAC Name: lithium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate SMILES: [Li+].C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

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Specifications

PubChem CID	23681910
CAS	131651-65-5
Molecular Weight (g/mol)	306.027
MDL Number	MFCD03094160
SMILES	[Li+].C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
Synonym	Lithium Perfluoro-1-butanesulfonate, Nonafluoro-1-butanesulfonic Acid Lithium Salt, Perfluoro-1-butanesulfonic Acid Lithium Salt
IUPAC Name	lithium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
InChI Key	FEDFHMISXKDOJI-UHFFFAOYSA-M
Molecular Formula	C4F9LiO3S

3,148

2,3,4,6-Tetra-O-acetyl-D-mannopyranosyl Fluoride 95.0+%, TCI America™

CAS: 174511-17-2 Molecular Formula: C14H19FO9 Molecular Weight (g/mol): 350.295 InChI Key: JJXATNWYELAACC-JABUTEAWSA-N PubChem CID: 45489774 IUPAC Name: [(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)F)OC(=O)C)OC(=O)C)OC(=O)C

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Specifications

PubChem CID	45489774
CAS	174511-17-2
Molecular Weight (g/mol)	350.295
SMILES	CC(=O)OCC1C(C(C(C(O1)F)OC(=O)C)OC(=O)C)OC(=O)C
IUPAC Name	[(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
InChI Key	JJXATNWYELAACC-JABUTEAWSA-N
Molecular Formula	C14H19FO9

3,149

Stachyose Hydrate 98.0+%, TCI America™

CAS: 54261-98-2 Molecular Formula: C24H42O21 Molecular Weight (g/mol): 666.58 MDL Number: MFCD00149457 InChI Key: UQZIYBXSHAGNOE-CYDMKDQUNA-N Synonym: beta-D-Fructofuranosyl O-alpha-D-Galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside, Lupeose, Manneotetrose PubChem CID: 131801001 IUPAC Name: (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Specifications

PubChem CID	131801001
CAS	54261-98-2
Molecular Weight (g/mol)	666.58
MDL Number	MFCD00149457
SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Synonym	beta-D-Fructofuranosyl O-alpha-D-Galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside, Lupeose, Manneotetrose
IUPAC Name	(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
InChI Key	UQZIYBXSHAGNOE-CYDMKDQUNA-N
Molecular Formula	C24H42O21

3,150

Triptycene-9,10-dicarboxaldehyde 96.0+%, TCI America™

CAS: 467429-73-8 Molecular Formula: C22H14O2 Molecular Weight (g/mol): 310.35 MDL Number: MFCD29472555 InChI Key: HTLPGDCICALQIK-UHFFFAOYSA-N Synonym: 9,10-Diformyltriptycene PubChem CID: 131637027 IUPAC Name: pentacyclo[6.6.6.0²,⁷.0⁹,¹⁴.0¹⁵,²⁰]icosa-2,4,6,9,11,13,15,17,19-nonaene-1,8-dicarbaldehyde SMILES: O=CC12C3=CC=CC=C3C(C=O)(C3=CC=CC=C13)C1=CC=CC=C21

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Specifications

PubChem CID	131637027
CAS	467429-73-8
Molecular Weight (g/mol)	310.35
MDL Number	MFCD29472555
SMILES	O=CC12C3=CC=CC=C3C(C=O)(C3=CC=CC=C13)C1=CC=CC=C21
Synonym	9,10-Diformyltriptycene
IUPAC Name	pentacyclo[6.6.6.0²,⁷.0⁹,¹⁴.0¹⁵,²⁰]icosa-2,4,6,9,11,13,15,17,19-nonaene-1,8-dicarbaldehyde
InChI Key	HTLPGDCICALQIK-UHFFFAOYSA-N
Molecular Formula	C22H14O2

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