Unclassified Organic Compounds

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

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1,651 – 1,665 of 211,121 results

1,651

D-Alanine methyl ester hydrochloride, 98%

CAS: 14316-06-4 Molecular Formula: C4H10ClNO2 Molecular Weight (g/mol): 139.58 MDL Number: MFCD00066141 InChI Key: IYUKFAFDFHZKPI-UHFFFAOYNA-N Synonym: d-alanine methyl ester hydrochloride,methyl d-alaninate hydrochloride,h-d-ala-ome.hcl,methyl d-alaninate hcl,methyl 2r-2-aminopropanoate hydrochloride,h-d-ala-ome hcl,r-methyl 2-aminopropanoate hydrochloride,d-alanine methylester hydrochloride,d-alanine, methyl ester, hydrochloride,pubchem10885 PubChem CID: 11182647 IUPAC Name: methyl (2R)-2-aminopropanoate;hydrochloride SMILES: [H+].[Cl-].COC(=O)C(C)N

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Specifications

PubChem CID	11182647
CAS	14316-06-4
Molecular Weight (g/mol)	139.58
MDL Number	MFCD00066141
SMILES	[H+].[Cl-].COC(=O)C(C)N
Synonym	d-alanine methyl ester hydrochloride,methyl d-alaninate hydrochloride,h-d-ala-ome.hcl,methyl d-alaninate hcl,methyl 2r-2-aminopropanoate hydrochloride,h-d-ala-ome hcl,r-methyl 2-aminopropanoate hydrochloride,d-alanine methylester hydrochloride,d-alanine, methyl ester, hydrochloride,pubchem10885
IUPAC Name	methyl (2R)-2-aminopropanoate;hydrochloride
InChI Key	IYUKFAFDFHZKPI-UHFFFAOYNA-N
Molecular Formula	C4H10ClNO2

1,652

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DL-Ethionine, 98%

CAS: 67-21-0 Molecular Formula: C6H13NO2S Molecular Weight (g/mol): 163.24 MDL Number: MFCD00063102 InChI Key: GGLZPLKKBSSKCX-UHFFFAOYNA-N Synonym: dl-ethionine,s-ethylhomocysteine,aethionin,s-ethyl-dl-homocysteine,2-amino-4-ethylthio butyric acid,dl-homocysteine, s-ethyl,ethionine, dl,+--ethionine,homocysteine, s-ethyl,2-amino-4-ethylthio butanoic acid PubChem CID: 6205 ChEBI: CHEBI:68662 SMILES: CCSCCC(N)C(O)=O

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Specifications

PubChem CID	6205
CAS	67-21-0
Molecular Weight (g/mol)	163.24
ChEBI	CHEBI:68662
MDL Number	MFCD00063102
SMILES	CCSCCC(N)C(O)=O
Synonym	dl-ethionine,s-ethylhomocysteine,aethionin,s-ethyl-dl-homocysteine,2-amino-4-ethylthio butyric acid,dl-homocysteine, s-ethyl,ethionine, dl,+--ethionine,homocysteine, s-ethyl,2-amino-4-ethylthio butanoic acid
InChI Key	GGLZPLKKBSSKCX-UHFFFAOYNA-N
Molecular Formula	C6H13NO2S

1,653

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2-Phenylcyclohexanone, 98%

CAS: 1444-65-1 Molecular Formula: C12H14O Molecular Weight (g/mol): 174.243 MDL Number: MFCD00001629 InChI Key: DRLVMOAWNVOSPE-UHFFFAOYSA-N Synonym: 2-phenylcyclohexanone,cyclohexanone, 2-phenyl,2-phenyl-cyclohexanone,2-phenyl cyclohexanone,cyclohexanone, phenyl,2-phenylcyclohexanon,phenylcyclohexanone,phenyl cyclohexanone,6-phenylcyclohexanone PubChem CID: 95592 IUPAC Name: 2-phenylcyclohexan-1-one SMILES: C1CCC(=O)C(C1)C2=CC=CC=C2

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Specifications

PubChem CID	95592
CAS	1444-65-1
Molecular Weight (g/mol)	174.243
MDL Number	MFCD00001629
SMILES	C1CCC(=O)C(C1)C2=CC=CC=C2
Synonym	2-phenylcyclohexanone,cyclohexanone, 2-phenyl,2-phenyl-cyclohexanone,2-phenyl cyclohexanone,cyclohexanone, phenyl,2-phenylcyclohexanon,phenylcyclohexanone,phenyl cyclohexanone,6-phenylcyclohexanone
IUPAC Name	2-phenylcyclohexan-1-one
InChI Key	DRLVMOAWNVOSPE-UHFFFAOYSA-N
Molecular Formula	C12H14O

1,654

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Potassium (cyanomethyl)trifluoroborate, 95%

CAS: 888711-58-8 Molecular Formula: C₂H₂BF₃KN Molecular Weight (g/mol): 146.95 InChI Key: IJENQMHWPRCCBA-UHFFFAOYSA-N Synonym: potassium cyanomethyl trifluoroborate,c2h2bf3n.k,potassium cyanomethyl trifluoroboranuide,potassium cyanomethyl trifluoro borate 1- PubChem CID: 23666193

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Specifications

PubChem CID	23666193
CAS	888711-58-8
Molecular Weight (g/mol)	146.95
Synonym	potassium cyanomethyl trifluoroborate,c2h2bf3n.k,potassium cyanomethyl trifluoroboranuide,potassium cyanomethyl trifluoro borate 1-
InChI Key	IJENQMHWPRCCBA-UHFFFAOYSA-N
Molecular Formula	C₂H₂BF₃KN

1,655

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5alpha-Cholestan-3beta-ol, 98%

CAS: 80-97-7 Molecular Formula: C27H48O Molecular Weight (g/mol): 388.68 MDL Number: MFCD00066413 InChI Key: QYIXCDOBOSTCEI-UHFFFAOYNA-N Synonym: coprostan-3alpha-ol PubChem CID: 44135456 IUPAC Name: (10S,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

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Specifications

PubChem CID	44135456
CAS	80-97-7
Molecular Weight (g/mol)	388.68
MDL Number	MFCD00066413
SMILES	CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Synonym	coprostan-3alpha-ol
IUPAC Name	(10S,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI Key	QYIXCDOBOSTCEI-UHFFFAOYNA-N
Molecular Formula	C27H48O

1,656

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Ethyl (R)-(+)-1-Boc-4-oxopiperidine-2-carboxylate, 95%, Thermo Scientific™

CAS: 357154-16-6 Molecular Formula: C13H21NO5 Molecular Weight (g/mol): 271.313 MDL Number: MFCD20526405 InChI Key: YAVQLRUBKDCOCI-SNVBAGLBSA-N Synonym: r-1-tert-butyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate,ethyl r-1-boc-4-oxopiperidine-2-carboxylate,r-+-1-boc-4-oxopiperidine-2-carboxylic acid ethyl ester,r-1-boc-4-oxopiperidine-2-carboxylic acid ethyl ester,ethyl r-+-1-boc-4-oxopiperidine-2-carboxylate,ethyl r-+-1-boc-4-oxopipecolate,r-1-tert-butyl-2-ethyl-4-oxopiperidine-1,2-dicarboxylate,2r-4-oxopiperidine-1,2-dicarboxylic acid 1-tert-butyl 2-ethyl ester,1-tert-butyl 2-ethyl 2r-4-oxopiperidine-1,2-dicarboxylate PubChem CID: 67586303 IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R)-4-oxopiperidine-1,2-dicarboxylate SMILES: CCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C

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Specifications

PubChem CID	67586303
CAS	357154-16-6
Molecular Weight (g/mol)	271.313
MDL Number	MFCD20526405
SMILES	CCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C
Synonym	r-1-tert-butyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate,ethyl r-1-boc-4-oxopiperidine-2-carboxylate,r-+-1-boc-4-oxopiperidine-2-carboxylic acid ethyl ester,r-1-boc-4-oxopiperidine-2-carboxylic acid ethyl ester,ethyl r-+-1-boc-4-oxopiperidine-2-carboxylate,ethyl r-+-1-boc-4-oxopipecolate,r-1-tert-butyl-2-ethyl-4-oxopiperidine-1,2-dicarboxylate,2r-4-oxopiperidine-1,2-dicarboxylic acid 1-tert-butyl 2-ethyl ester,1-tert-butyl 2-ethyl 2r-4-oxopiperidine-1,2-dicarboxylate
IUPAC Name	1-O-tert-butyl 2-O-ethyl (2R)-4-oxopiperidine-1,2-dicarboxylate
InChI Key	YAVQLRUBKDCOCI-SNVBAGLBSA-N
Molecular Formula	C13H21NO5

1,657

Methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride, 97%, Thermo Scientific™

CAS: 3939-01-3 Molecular Formula: C₁₄H₁₇NO₃·HCl Molecular Weight (g/mol): 283.76 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-oxo-3-piperidinecarboxylate, hcl,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5 PubChem CID: 107479

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Specifications

PubChem CID	107479
CAS	3939-01-3
Molecular Weight (g/mol)	283.76
MDL Number	MFCD00012799
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-oxo-3-piperidinecarboxylate, hcl,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5
InChI Key	BRADBAOVPACOQQ-UHFFFAOYNA-N
Molecular Formula	C₁₄H₁₇NO₃·HCl

1,658

Adenosine-5'-Diphosphate Trisodium Salt, MP Biomedicals

CAS: 2092-65-1 Molecular Formula: C10H15N5Na3O10P2 Molecular Weight (g/mol): 496.172 InChI Key: VJZLETZZUNQROW-MSQVLRTGSA-N Synonym: adenosine-5'-diphosphate trisodium salt PubChem CID: 131875859 IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;sodium SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O.[Na].[Na].[Na]

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Specifications

PubChem CID	131875859
CAS	2092-65-1
Molecular Weight (g/mol)	496.172
SMILES	C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O.[Na].[Na].[Na]
Synonym	adenosine-5'-diphosphate trisodium salt
IUPAC Name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;sodium
InChI Key	VJZLETZZUNQROW-MSQVLRTGSA-N
Molecular Formula	C10H15N5Na3O10P2

1,659

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Thermo Scientific™ 3-Methoxypropylamine, 99%

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1,660

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Methyl (+)-4-Boc-piperazine-2-carboxylate

CAS: 129799-08-2 Molecular Formula: C11H21N2O4 Molecular Weight (g/mol): 245.30 MDL Number: MFCD01632465,MFCD04115325,MFCD04115326 InChI Key: QUKAHFCVKNRRBU-QMMMGPOBSA-O Synonym: methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338 PubChem CID: 2756819 IUPAC Name: 1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate SMILES: COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C

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Specifications

PubChem CID	2756819
CAS	129799-08-2
Molecular Weight (g/mol)	245.30
MDL Number	MFCD01632465,MFCD04115325,MFCD04115326
SMILES	COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C
Synonym	methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338
IUPAC Name	1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI Key	QUKAHFCVKNRRBU-QMMMGPOBSA-O
Molecular Formula	C11H21N2O4

1,661

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cis-4-(Boc-amino)cyclohexanecarboxaldehyde, 97%

CAS: 181308-56-5 Molecular Formula: C12H21NO3 Molecular Weight (g/mol): 227.304 MDL Number: MFCD03844599 InChI Key: GPDBIGSFXXKWQR-UHFFFAOYSA-N Synonym: tert-butyl trans-4-formylcyclohexylcarbamate,tert-butyl cis-4-formylcyclohexylcarbamate,trans-boc-4-aminocyclohexanecarbaldehyde,tert-butyl n-4-formylcyclohexyl carbamate,trans-4-formyl-cyclohexyl-carbamic acid tert-butyl ester,tert-butyl trans-4-formylcyclohexyl carbamate,tert-butyl 4-formylcyclohexyl carbamate,trans-tert-butyl 4-formylcyclohexyl carbamate,tert-butyl 1r,4r-4-formylcyclohexylcarbamate,cis-4-boc-amino cyclohexanecarboxaldehyde PubChem CID: 11020615 IUPAC Name: tert-butyl N-(4-formylcyclohexyl)carbamate SMILES: CC(C)(C)OC(=O)NC1CCC(CC1)C=O

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Specifications

PubChem CID	11020615
CAS	181308-56-5
Molecular Weight (g/mol)	227.304
MDL Number	MFCD03844599
SMILES	CC(C)(C)OC(=O)NC1CCC(CC1)C=O
Synonym	tert-butyl trans-4-formylcyclohexylcarbamate,tert-butyl cis-4-formylcyclohexylcarbamate,trans-boc-4-aminocyclohexanecarbaldehyde,tert-butyl n-4-formylcyclohexyl carbamate,trans-4-formyl-cyclohexyl-carbamic acid tert-butyl ester,tert-butyl trans-4-formylcyclohexyl carbamate,tert-butyl 4-formylcyclohexyl carbamate,trans-tert-butyl 4-formylcyclohexyl carbamate,tert-butyl 1r,4r-4-formylcyclohexylcarbamate,cis-4-boc-amino cyclohexanecarboxaldehyde
IUPAC Name	tert-butyl N-(4-formylcyclohexyl)carbamate
InChI Key	GPDBIGSFXXKWQR-UHFFFAOYSA-N
Molecular Formula	C12H21NO3

1,662

Glassy carbon rod, 3mm (0.1in) dia, type 1

CAS: 7440-44-0 Molecular Formula: C Molecular Weight (g/mol): 12.01 MDL Number: MFCD00133992 InChI Key: OKTJSMMVPCPJKN-UHFFFAOYSA-N IUPAC Name: carbon SMILES: [C]

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Specifications

CAS	7440-44-0
Molecular Weight (g/mol)	12.01
MDL Number	MFCD00133992
SMILES	[C]
IUPAC Name	carbon
InChI Key	OKTJSMMVPCPJKN-UHFFFAOYSA-N
Molecular Formula	C

1,663

Methyliminodiacetic Acid, MP Biomedicals

CAS: 4408-64-4 Molecular Formula: C5H9NO4 Molecular Weight (g/mol): 147.13 InChI Key: XWSGEVNYFYKXCP-UHFFFAOYSA-N Synonym: n-methyliminodiacetic acid,2,2'-methylazanediyl diacetic acid,methyliminodiacetic acid,mida,methylimidodiacetic acid,n-methyliminodiaceticacid,glycine, n-carboxymethyl-n-methyl,methylimino diacetic acid,acetic acid, methylimino di,carboxymethyl methyl amino acetic acid PubChem CID: 20441 IUPAC Name: 2-[carboxymethyl(methyl)amino]acetic acid SMILES: CN(CC(=O)O)CC(=O)O

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Specifications

PubChem CID	20441
CAS	4408-64-4
Molecular Weight (g/mol)	147.13
SMILES	CN(CC(=O)O)CC(=O)O
Synonym	n-methyliminodiacetic acid,2,2'-methylazanediyl diacetic acid,methyliminodiacetic acid,mida,methylimidodiacetic acid,n-methyliminodiaceticacid,glycine, n-carboxymethyl-n-methyl,methylimino diacetic acid,acetic acid, methylimino di,carboxymethyl methyl amino acetic acid
IUPAC Name	2-[carboxymethyl(methyl)amino]acetic acid
InChI Key	XWSGEVNYFYKXCP-UHFFFAOYSA-N
Molecular Formula	C5H9NO4

1,664

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N-Boc-cis-4-fluoro-L-proline, 97%, Thermo Scientific Chemicals

CAS: 203866-13-1 Molecular Formula: C10H16FNO4 Molecular Weight (g/mol): 233.239 MDL Number: MFCD04973957 InChI Key: YGWZXQOYEBWUTH-BQBZGAKWSA-N Synonym: n-boc-cis-4-fluoro-l-proline,2s,4s-1-tert-butoxycarbonyl-4-fluoropyrrolidine-2-carboxylic acid,2s,4s-1-tert-butoxycarbonyl-4-fluoro-2-pyrrolidinecarboxylic acid,n-tert-butoxycarbonyl-cis-4-fluoro-l-proline,boc-cis-4-fluoro-pro-oh,2s,4s-1-tert-butoxy carbonyl-4-fluoropyrrolidine-2-carboxylic acid,boc-flp-oh,boc-cis-pro 4-f-oh,boc-cis-4-fluoro-l-proline,2s,4s-1-boc-4-fluoro-2-pyrrolidinecarboxylic acid PubChem CID: 2756017 IUPAC Name: (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F

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Specifications

PubChem CID	2756017
CAS	203866-13-1
Molecular Weight (g/mol)	233.239
MDL Number	MFCD04973957
SMILES	CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F
Synonym	n-boc-cis-4-fluoro-l-proline,2s,4s-1-tert-butoxycarbonyl-4-fluoropyrrolidine-2-carboxylic acid,2s,4s-1-tert-butoxycarbonyl-4-fluoro-2-pyrrolidinecarboxylic acid,n-tert-butoxycarbonyl-cis-4-fluoro-l-proline,boc-cis-4-fluoro-pro-oh,2s,4s-1-tert-butoxy carbonyl-4-fluoropyrrolidine-2-carboxylic acid,boc-flp-oh,boc-cis-pro 4-f-oh,boc-cis-4-fluoro-l-proline,2s,4s-1-boc-4-fluoro-2-pyrrolidinecarboxylic acid
IUPAC Name	(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI Key	YGWZXQOYEBWUTH-BQBZGAKWSA-N
Molecular Formula	C10H16FNO4

1,665

Selectophore™ Dodecyl 2-nitrophenyl ether, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00024221 Synonym: 1-Dodecyloxy-2-nitrobenzene; 2-Nitrophenyl dodecyl ether; ETH 217

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Specifications

MDL Number	MFCD00024221
Synonym	1-Dodecyloxy-2-nitrobenzene; 2-Nitrophenyl dodecyl ether; ETH 217

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