Unclassified Organic Compounds

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

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3,736 – 3,750 of 163,112 results

3,736

Ursolic Acid 90.0+%, TCI America™

CAS: 77-52-1 Molecular Formula: C30H48O3 Molecular Weight (g/mol): 456.71 MDL Number: MFCD00009621 InChI Key: WCGUUGGRBIKTOS-GPOJBZKASA-N Synonym: 3beta-Hydroxy-12-ursen-28-oic Acid PubChem CID: 129316832 IUPAC Name: (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

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Specifications

PubChem CID	129316832
CAS	77-52-1
Molecular Weight (g/mol)	456.71
MDL Number	MFCD00009621
SMILES	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Synonym	3beta-Hydroxy-12-ursen-28-oic Acid
IUPAC Name	(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI Key	WCGUUGGRBIKTOS-GPOJBZKASA-N
Molecular Formula	C30H48O3

3,737

(1S)-(-)-10-Mercaptoisoborneol 98.0+%, TCI America™

CAS: 71242-58-5 Molecular Formula: C10H18OS Molecular Weight (g/mol): 186.313 MDL Number: MFCD00151646 InChI Key: PYQMNINTTPIRIT-CCNFQMFXSA-N PubChem CID: 13460477 IUPAC Name: (3R)-7,7-dimethyl-4-(sulfanylmethyl)bicyclo[2.2.1]heptan-3-ol SMILES: CC1(C2CCC1(C(C2)O)CS)C

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Specifications

PubChem CID	13460477
CAS	71242-58-5
Molecular Weight (g/mol)	186.313
MDL Number	MFCD00151646
SMILES	CC1(C2CCC1(C(C2)O)CS)C
IUPAC Name	(3R)-7,7-dimethyl-4-(sulfanylmethyl)bicyclo[2.2.1]heptan-3-ol
InChI Key	PYQMNINTTPIRIT-CCNFQMFXSA-N
Molecular Formula	C10H18OS

3,738

Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate Hydrochloride 98.0+%, TCI America™

CAS: 3939-01-3 Molecular Formula: C14H18ClNO3 Molecular Weight (g/mol): 283.75 MDL Number: MFCD00012799 InChI Key: BRADBAOVPACOQQ-UHFFFAOYNA-N Synonym: methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride,1-benzyl-3-carbomethoxy-4-piperidone hydrochloride,1-benzyl-3-methoxycarbonyl-4-piperidone hydrochloride,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5,ksc790s5l PubChem CID: 107479 IUPAC Name: methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride SMILES: COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl

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Specifications

PubChem CID	107479
CAS	3939-01-3
Molecular Weight (g/mol)	283.75
MDL Number	MFCD00012799
SMILES	COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl
Synonym	methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride,1-benzyl-3-carbomethoxy-4-piperidone hydrochloride,1-benzyl-3-methoxycarbonyl-4-piperidone hydrochloride,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5,ksc790s5l
IUPAC Name	methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI Key	BRADBAOVPACOQQ-UHFFFAOYNA-N
Molecular Formula	C14H18ClNO3

3,739

Heptadecylcyclohexane 97.0+%, TCI America™

CAS: 19781-73-8 Molecular Formula: C23H46 Molecular Weight (g/mol): 322.621 MDL Number: MFCD00051453 InChI Key: VLHZQNGNJQYAIZ-UHFFFAOYSA-N Synonym: 1-Cyclohexylheptadecane PubChem CID: 29777 IUPAC Name: heptadecylcyclohexane SMILES: CCCCCCCCCCCCCCCCCC1CCCCC1

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Specifications

PubChem CID	29777
CAS	19781-73-8
Molecular Weight (g/mol)	322.621
MDL Number	MFCD00051453
SMILES	CCCCCCCCCCCCCCCCCC1CCCCC1
Synonym	1-Cyclohexylheptadecane
IUPAC Name	heptadecylcyclohexane
InChI Key	VLHZQNGNJQYAIZ-UHFFFAOYSA-N
Molecular Formula	C23H46

3,740

Phenyl 2-O-Acetyl-3,4,6-tri-O-benzyl-1-thio-beta-D-galactopyranoside, TCI America™

CAS: 183875-28-7 Molecular Formula: C35H36O6S Molecular Weight (g/mol): 584.727 InChI Key: IKFDEPUTIUTSLC-NVCPMKERSA-N Synonym: Gal[2Ac,346Bn]-beta-SPh PubChem CID: 124527361 IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl] acetate SMILES: CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Pricing & Availability
Specifications

PubChem CID	124527361
CAS	183875-28-7
Molecular Weight (g/mol)	584.727
SMILES	CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
Synonym	Gal[2Ac,346Bn]-beta-SPh
IUPAC Name	[(2S,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl] acetate
InChI Key	IKFDEPUTIUTSLC-NVCPMKERSA-N
Molecular Formula	C35H36O6S

3,741

Cresol, TCI America™

CAS: 1319-77-3 Molecular Formula: C7H8O MDL Number: MFCD00151099 Synonym: Cresylic Acid, Tricresol

Pricing & Availability
Specifications

CAS	1319-77-3
MDL Number	MFCD00151099
Synonym	Cresylic Acid, Tricresol
Molecular Formula	C7H8O

3,742

Dimethyl L-Glutamate Hydrochloride 98.0+%, TCI America™

CAS: 23150-65-4 Molecular Formula: C7H13ClNO4 Molecular Weight (g/mol): 210.63 MDL Number: MFCD00038879 InChI Key: BPHCSYSXOKTCMA-UHFFFAOYNA-N Synonym: l-glutamic acid dimethyl ester hydrochloride,h-glu ome-ome.hcl,dimethyl l-glutamate hydrochloride,s-dimethyl 2-aminopentanedioate hydrochloride,unii-185vc5x3pf,1,5-dimethyl 2s-2-aminopentanedioate hydrochloride,h-glu ome-ome inverted exclamation mark currencyhcl,s-dimethyl 2-aminopentanedioate hcl,glutamic acid dimethyl ester hydrochloride,dimethyl glutamic acid hydrochloride PubChem CID: 12917568 IUPAC Name: 1,5-dimethyl 2-aminopentanedioate hydrochloridyl SMILES: [Cl].COC(=O)CCC(N)C(=O)OC

Pricing & Availability
Specifications

PubChem CID	12917568
CAS	23150-65-4
Molecular Weight (g/mol)	210.63
MDL Number	MFCD00038879
SMILES	[Cl].COC(=O)CCC(N)C(=O)OC
Synonym	l-glutamic acid dimethyl ester hydrochloride,h-glu ome-ome.hcl,dimethyl l-glutamate hydrochloride,s-dimethyl 2-aminopentanedioate hydrochloride,unii-185vc5x3pf,1,5-dimethyl 2s-2-aminopentanedioate hydrochloride,h-glu ome-ome inverted exclamation mark currencyhcl,s-dimethyl 2-aminopentanedioate hcl,glutamic acid dimethyl ester hydrochloride,dimethyl glutamic acid hydrochloride
IUPAC Name	1,5-dimethyl 2-aminopentanedioate hydrochloridyl
InChI Key	BPHCSYSXOKTCMA-UHFFFAOYNA-N
Molecular Formula	C7H13ClNO4

3,743

2,2,3,3-Tetrafluoro-3-[[1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluorovinyl)oxy]propan-2-yl]oxy]propionitrile 93.0+%, TCI America™

CAS: 69804-19-9 Molecular Formula: C8F13NO2 Molecular Weight (g/mol): 389.07 MDL Number: MFCD30062897 InChI Key: LYIPDZSLYLDLCU-UHFFFAOYNA-N PubChem CID: 112160 IUPAC Name: 2,2,3,3-tetrafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)propanenitrile SMILES: FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C#N)C(F)(F)F

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Specifications

PubChem CID	112160
CAS	69804-19-9
Molecular Weight (g/mol)	389.07
MDL Number	MFCD30062897
SMILES	FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C#N)C(F)(F)F
IUPAC Name	2,2,3,3-tetrafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)propanenitrile
InChI Key	LYIPDZSLYLDLCU-UHFFFAOYNA-N
Molecular Formula	C8F13NO2

3,744

GlcNPhth[346Ac]beta(1-3)Gal[246Bn]-beta-MP 98.0+%, TCI America™

CAS: 1820575-44-7 Molecular Formula: C54H55NO16 Molecular Weight (g/mol): 974.025 InChI Key: QHFVNDYHDLXLJC-JKFMBOLMSA-N Synonym: 4-Methoxyphenyl 3-O-(3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl)-2,4,6-tri-O-benzyl-beta-D-galactopyranoside PubChem CID: 91659147 IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-[(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)COCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OC(=O)C)OC(=O)C

Pricing & Availability
Specifications

PubChem CID	91659147
CAS	1820575-44-7
Molecular Weight (g/mol)	974.025
SMILES	CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)COCC5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OC(=O)C)OC(=O)C
Synonym	4-Methoxyphenyl 3-O-(3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl)-2,4,6-tri-O-benzyl-beta-D-galactopyranoside
IUPAC Name	[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-[(2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl acetate
InChI Key	QHFVNDYHDLXLJC-JKFMBOLMSA-N
Molecular Formula	C54H55NO16

3,745

N-(4-Methoxy-2-hydroxybenzylidene)-4-butylaniline 98.0+%, TCI America™

CAS: 30633-94-4 Molecular Formula: C18H21NO2 Molecular Weight (g/mol): 283.371 MDL Number: MFCD00059253 InChI Key: NUBUXRIZVPWYJB-UHFFFAOYSA-N Synonym: N-(2-Hydroxy-p-anisal)-4-butylaniline, N-(2-Hydroxy-p-anisylidene)-4-butylaniline PubChem CID: 60150216 IUPAC Name: 6-[(4-butylanilino)methylidene]-3-methoxycyclohexa-2,4-dien-1-one SMILES: CCCCC1=CC=C(C=C1)NC=C2C=CC(=CC2=O)OC

Pricing & Availability
Specifications

PubChem CID	60150216
CAS	30633-94-4
Molecular Weight (g/mol)	283.371
MDL Number	MFCD00059253
SMILES	CCCCC1=CC=C(C=C1)NC=C2C=CC(=CC2=O)OC
Synonym	N-(2-Hydroxy-p-anisal)-4-butylaniline, N-(2-Hydroxy-p-anisylidene)-4-butylaniline
IUPAC Name	6-[(4-butylanilino)methylidene]-3-methoxycyclohexa-2,4-dien-1-one
InChI Key	NUBUXRIZVPWYJB-UHFFFAOYSA-N
Molecular Formula	C18H21NO2

3,746

1-Methyl L-Aspartate 98.0+%, TCI America™

CAS: 17812-32-7 Molecular Formula: C5H9NO4 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00080289 InChI Key: SWWBMHIMADRNIK-UHFFFAOYNA-N Synonym: h-asp-ome,1-methyl l-aspartate,l-aspartic acid 1-methyl ester,s-3-amino-4-methoxy-4-oxobutanoic acid,3s-3-amino-4-methoxy-4-oxobutanoic acid,l-aspartic acid methyl ester,pubchem13176,l-aspartic acid 1-methyl ester; 3-amino-4-methoxy-4-oxobutanoic acid; h-asp-ome PubChem CID: 6994682 IUPAC Name: 3-amino-4-methoxy-4-oxobutanoic acid SMILES: COC(=O)C(N)CC(O)=O

Pricing & Availability
Specifications

PubChem CID	6994682
CAS	17812-32-7
Molecular Weight (g/mol)	147.13
MDL Number	MFCD00080289
SMILES	COC(=O)C(N)CC(O)=O
Synonym	h-asp-ome,1-methyl l-aspartate,l-aspartic acid 1-methyl ester,s-3-amino-4-methoxy-4-oxobutanoic acid,3s-3-amino-4-methoxy-4-oxobutanoic acid,l-aspartic acid methyl ester,pubchem13176,l-aspartic acid 1-methyl ester; 3-amino-4-methoxy-4-oxobutanoic acid; h-asp-ome
IUPAC Name	3-amino-4-methoxy-4-oxobutanoic acid
InChI Key	SWWBMHIMADRNIK-UHFFFAOYNA-N
Molecular Formula	C5H9NO4

3,747

Disodium Iminodiacetate Hydrate 98.0+%, TCI America™

CAS: 207398-95-6 Molecular Formula: C4H7NNa2O5 Molecular Weight (g/mol): 195.082 MDL Number: MFCD00043340 InChI Key: YSBGCHXLMBAKPV-UHFFFAOYSA-L Synonym: Iminodiacetic Acid Disodium Salt PubChem CID: 12520792 IUPAC Name: disodium;2-(carboxylatomethylamino)acetate;hydrate SMILES: C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]

Pricing & Availability
Specifications

PubChem CID	12520792
CAS	207398-95-6
Molecular Weight (g/mol)	195.082
MDL Number	MFCD00043340
SMILES	C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]
Synonym	Iminodiacetic Acid Disodium Salt
IUPAC Name	disodium;2-(carboxylatomethylamino)acetate;hydrate
InChI Key	YSBGCHXLMBAKPV-UHFFFAOYSA-L
Molecular Formula	C4H7NNa2O5

3,748

Benzoyl-L-histidine Monohydrate 98.0+%, TCI America™

CAS: 5354-94-9 Molecular Formula: C13H13N3O3 Molecular Weight (g/mol): 259.265 MDL Number: MFCD00037850 InChI Key: AUDPUFBIVWMAED-NSHDSACASA-N PubChem CID: 152263 IUPAC Name: (2S)-2-benzamido-3-(1H-imidazol-5-yl)propanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

Pricing & Availability
Specifications

PubChem CID	152263
CAS	5354-94-9
Molecular Weight (g/mol)	259.265
MDL Number	MFCD00037850
SMILES	C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O
IUPAC Name	(2S)-2-benzamido-3-(1H-imidazol-5-yl)propanoic acid
InChI Key	AUDPUFBIVWMAED-NSHDSACASA-N
Molecular Formula	C13H13N3O3

3,749

1,3-Dibromo-5-hexylbenzene 95.0+%, TCI America™

CAS: 75894-97-2 Molecular Formula: C12H16Br2 Molecular Weight (g/mol): 320.068 InChI Key: LAKHKLCGQAELGL-UHFFFAOYSA-N PubChem CID: 85996911 IUPAC Name: 1,3-dibromo-5-hexylbenzene SMILES: CCCCCCC1=CC(=CC(=C1)Br)Br

Pricing & Availability
Specifications

PubChem CID	85996911
CAS	75894-97-2
Molecular Weight (g/mol)	320.068
SMILES	CCCCCCC1=CC(=CC(=C1)Br)Br
IUPAC Name	1,3-dibromo-5-hexylbenzene
InChI Key	LAKHKLCGQAELGL-UHFFFAOYSA-N
Molecular Formula	C12H16Br2

3,750

2-tert-Butyl-1,4-benzoquinone 98.0+%, TCI America™

CAS: 3602-55-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00666928 InChI Key: NCCTVAJNFXYWTM-UHFFFAOYSA-N PubChem CID: 19211 IUPAC Name: 2-tert-butylcyclohexa-2,5-diene-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=CC1=O

Pricing & Availability
Specifications

PubChem CID	19211
CAS	3602-55-9
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00666928
SMILES	CC(C)(C)C1=CC(=O)C=CC1=O
IUPAC Name	2-tert-butylcyclohexa-2,5-diene-1,4-dione
InChI Key	NCCTVAJNFXYWTM-UHFFFAOYSA-N
Molecular Formula	C10H12O2

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