Unclassified Organic Compounds

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

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1,141 – 1,155 of 209,641 results

1,141

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2-Cyclopentenone, 98%

CAS: 930-30-3 Molecular Formula: C5H6O Molecular Weight (g/mol): 82.10 MDL Number: MFCD00001401 InChI Key: BZKFMUIJRXWWQK-UHFFFAOYSA-N Synonym: 2-cyclopenten-1-one,2-cyclopentenone,cyclopentenone,cyclopent-2-enone,cyclopenten-3-one,2-cyclopentene-1-one,cyclopent-2-ene-1-one,unii-q0u2igf9ck,3-cyclopenten-2-one,q0u2igf9ck PubChem CID: 13588 IUPAC Name: cyclopent-2-en-1-one SMILES: O=C1CCC=C1

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Specifications

PubChem CID	13588
CAS	930-30-3
Molecular Weight (g/mol)	82.10
MDL Number	MFCD00001401
SMILES	O=C1CCC=C1
Synonym	2-cyclopenten-1-one,2-cyclopentenone,cyclopentenone,cyclopent-2-enone,cyclopenten-3-one,2-cyclopentene-1-one,cyclopent-2-ene-1-one,unii-q0u2igf9ck,3-cyclopenten-2-one,q0u2igf9ck
IUPAC Name	cyclopent-2-en-1-one
InChI Key	BZKFMUIJRXWWQK-UHFFFAOYSA-N
Molecular Formula	C5H6O

1,142

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Silodosin, Thermo Scientific Chemicals

CAS: 160970-54-7 Molecular Formula: C25H32F3N3O4 Molecular Weight (g/mol): 495.54 InChI Key: PNCPYILNMDWPEY-QGZVFWFLSA-N IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide SMILES: C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F

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Specifications

CAS	160970-54-7
Molecular Weight (g/mol)	495.54
SMILES	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
IUPAC Name	1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
InChI Key	PNCPYILNMDWPEY-QGZVFWFLSA-N
Molecular Formula	C25H32F3N3O4

1,143

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2,6-Dibromo-4-nitrotoluene, 95%

CAS: 110127-07-6 Molecular Formula: C₇H₅Br₂NO₂ MDL Number: MFCD00151807

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Specifications

CAS	110127-07-6
MDL Number	MFCD00151807
Molecular Formula	C₇H₅Br₂NO₂

1,144

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4-tert-Pentylcyclohexanone, 97%

CAS: 16587-71-6 Molecular Formula: C11H20O Molecular Weight (g/mol): 168.28 MDL Number: MFCD00013798 InChI Key: DCSKAMGZSIRJAQ-UHFFFAOYSA-N Synonym: 4-tert-pentyl cyclohexanone,4-tert-amylcyclohexanone,4-tert-pentylcyclohexanone,cyclohexanone, 4-1,1-dimethylpropyl,4-2-methylbutan-2-yl cyclohexan-1-one,4-1,1-dimethylpropyl cyclohexanone,cyclohexanone, 4-tert-pentyl,orivone,unii-5380bwu79x,4-tert-pentyl-cyclohexanone PubChem CID: 27941 IUPAC Name: 4-(2-methylbutan-2-yl)cyclohexan-1-one SMILES: CCC(C)(C)C1CCC(=O)CC1

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Specifications

PubChem CID	27941
CAS	16587-71-6
Molecular Weight (g/mol)	168.28
MDL Number	MFCD00013798
SMILES	CCC(C)(C)C1CCC(=O)CC1
Synonym	4-tert-pentyl cyclohexanone,4-tert-amylcyclohexanone,4-tert-pentylcyclohexanone,cyclohexanone, 4-1,1-dimethylpropyl,4-2-methylbutan-2-yl cyclohexan-1-one,4-1,1-dimethylpropyl cyclohexanone,cyclohexanone, 4-tert-pentyl,orivone,unii-5380bwu79x,4-tert-pentyl-cyclohexanone
IUPAC Name	4-(2-methylbutan-2-yl)cyclohexan-1-one
InChI Key	DCSKAMGZSIRJAQ-UHFFFAOYSA-N
Molecular Formula	C11H20O

1,145

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Thermo Scientific Chemicals Scutellarin

CAS: 27740-01-8 Molecular Weight (g/mol): 462.36 InChI Key: DJSISFGPUUYILV-ZFORQUDYSA-N IUPAC Name: (2S,3S,4S,5R,6S)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O

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Specifications

CAS	27740-01-8
Molecular Weight (g/mol)	462.36
SMILES	O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
IUPAC Name	(2S,3S,4S,5R,6S)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key	DJSISFGPUUYILV-ZFORQUDYSA-N

1,146

Sucrose, MP Biomedicals™

CAS: 57-50-1 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.30 MDL Number: MFCD00006626 InChI Key: CZMRCDWAGMRECN-PWPRYFECNA-N Synonym: Beet sugar,Cane sugar,b-D-Fructofuranosyl-a-D-glucopyranoside,D-(+)-Saccharose IUPAC Name: (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Specifications

CAS	57-50-1
Molecular Weight (g/mol)	342.30
MDL Number	MFCD00006626
SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Synonym	Beet sugar,Cane sugar,b-D-Fructofuranosyl-a-D-glucopyranoside,D-(+)-Saccharose
IUPAC Name	(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	CZMRCDWAGMRECN-PWPRYFECNA-N
Molecular Formula	C12H22O11

1,147

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N-Boc-O-tert-butyl-L-tyrosine, 98%

CAS: 47375-34-8 Molecular Formula: C18H27NO5 Molecular Weight (g/mol): 337.42 MDL Number: MFCD00065598 InChI Key: ZEQLLMOXFVKKCN-YQTOOIBONA-N Synonym: boc-tyr tbu-oh,boc-o-tert-butyl-l-tyrosine,boc-tyr tbul-oh,s-3-4-tert-butoxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,n-tert-butoxycarbonyl-o-tert-butyl-l-tyrosine,l-tyrosine, n-1,1-dimethylethoxy carbonyl-o-1,1-dimethylethyl,2s-3-4-tert-butoxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,2s-2-tert-butoxy carbonylamino-3-4-tert-butoxy phenyl propanoic acid,boc-tyr but-oh,pubchem12288 PubChem CID: 7017901 IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(OC(C)(C)C)C=C1)C(O)=O

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Specifications

PubChem CID	7017901
CAS	47375-34-8
Molecular Weight (g/mol)	337.42
MDL Number	MFCD00065598
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(OC(C)(C)C)C=C1)C(O)=O
Synonym	boc-tyr tbu-oh,boc-o-tert-butyl-l-tyrosine,boc-tyr tbul-oh,s-3-4-tert-butoxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,n-tert-butoxycarbonyl-o-tert-butyl-l-tyrosine,l-tyrosine, n-1,1-dimethylethoxy carbonyl-o-1,1-dimethylethyl,2s-3-4-tert-butoxy phenyl-2-tert-butoxycarbonyl amino propanoic acid,2s-2-tert-butoxy carbonylamino-3-4-tert-butoxy phenyl propanoic acid,boc-tyr but-oh,pubchem12288
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
InChI Key	ZEQLLMOXFVKKCN-YQTOOIBONA-N
Molecular Formula	C18H27NO5

1,148

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2-Chloro-3-iodo-1,4-dimethoxybenzene, 97%

CAS: 1335243-55-4 Molecular Formula: C8H8ClIO2 Molecular Weight (g/mol): 298.504 MDL Number: MFCD22380712 InChI Key: IMMMDYMSUZKGSS-UHFFFAOYSA-N Synonym: 1-chloro-3,6-dimethoxy-2-iodobenzene PubChem CID: 98001136 IUPAC Name: 2-chloro-3-iodo-1,4-dimethoxybenzene SMILES: COC1=C(C(=C(C=C1)OC)I)Cl

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Specifications

PubChem CID	98001136
CAS	1335243-55-4
Molecular Weight (g/mol)	298.504
MDL Number	MFCD22380712
SMILES	COC1=C(C(=C(C=C1)OC)I)Cl
Synonym	1-chloro-3,6-dimethoxy-2-iodobenzene
IUPAC Name	2-chloro-3-iodo-1,4-dimethoxybenzene
InChI Key	IMMMDYMSUZKGSS-UHFFFAOYSA-N
Molecular Formula	C8H8ClIO2

1,149

Hydroxylapatite, fast flow

CAS: 1306-06-5 Molecular Formula: Ca5HO13P3 Molecular Weight (g/mol): 502.31 MDL Number: MFCD00010904 InChI Key: XYJRXVWERLGGKC-UHFFFAOYSA-D Synonym: Calcium phosphate hydroxide; Durapatite IUPAC Name: pentacalcium hydroxide triphosphate SMILES: [OH-].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O

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Specifications

CAS	1306-06-5
Molecular Weight (g/mol)	502.31
MDL Number	MFCD00010904
SMILES	[OH-].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
Synonym	Calcium phosphate hydroxide; Durapatite
IUPAC Name	pentacalcium hydroxide triphosphate
InChI Key	XYJRXVWERLGGKC-UHFFFAOYSA-D
Molecular Formula	Ca5HO13P3

1,150

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2-Bromo-6-fluorobenzylamine hydrochloride, 96%

CAS: 1214330-90-1 Molecular Formula: C7H8BrClFN Molecular Weight (g/mol): 240.5 InChI Key: WEGQVRTUTQKDNY-UHFFFAOYSA-N Synonym: 2-bromo-6-fluorobenzylamine hcl,2-bromo-6-fluorophenyl methanamine hydrochloride,2-bromo-6-fluorophenyl methanamine;hydrochloride,1-2-bromo-6-fluorophenyl methanamine hydrochloride PubChem CID: 118798502 IUPAC Name: (2-bromo-6-fluorophenyl)methanamine;hydrochloride SMILES: C1=CC(=C(C(=C1)Br)CN)F.Cl

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Specifications

PubChem CID	118798502
CAS	1214330-90-1
Molecular Weight (g/mol)	240.5
SMILES	C1=CC(=C(C(=C1)Br)CN)F.Cl
Synonym	2-bromo-6-fluorobenzylamine hcl,2-bromo-6-fluorophenyl methanamine hydrochloride,2-bromo-6-fluorophenyl methanamine;hydrochloride,1-2-bromo-6-fluorophenyl methanamine hydrochloride
IUPAC Name	(2-bromo-6-fluorophenyl)methanamine;hydrochloride
InChI Key	WEGQVRTUTQKDNY-UHFFFAOYSA-N
Molecular Formula	C7H8BrClFN

1,151

8-Bromo-2'-deoxyadenosine, 99%, Thermo Scientific Chemicals

CAS: 14985-44-5 Molecular Formula: C10H12BrN5O3 Molecular Weight (g/mol): 330.14 MDL Number: MFCD01630970 InChI Key: NJBIVXMQFIQOGE-DWFKHXNSNA-N Synonym: 8-bromo-2'-deoxyadenosine,2r,3s,5r-5-6-amino-8-bromo-9h-purin-9-yl-2-hydroxymethyl tetrahydrofuran-3-ol,2r,3s,5r-5-6-amino-8-bromopurin-9-yl-2-hydroxymethyl oxolan-3-ol,adenosine,8-bromo-2'-deoxy,2'-deoxy-8-bromoadenosine,8-b-2-da,8-bromo-2?-deoxyadenosine,adenosine, 8-bromo-2'-deoxy,8-bromo-2-deoxyadenosine PubChem CID: 96547 SMILES: NC1=C2N=C(Br)N([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC=N1

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Specifications

PubChem CID	96547
CAS	14985-44-5
Molecular Weight (g/mol)	330.14
MDL Number	MFCD01630970
SMILES	NC1=C2N=C(Br)N([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC=N1
Synonym	8-bromo-2'-deoxyadenosine,2r,3s,5r-5-6-amino-8-bromo-9h-purin-9-yl-2-hydroxymethyl tetrahydrofuran-3-ol,2r,3s,5r-5-6-amino-8-bromopurin-9-yl-2-hydroxymethyl oxolan-3-ol,adenosine,8-bromo-2'-deoxy,2'-deoxy-8-bromoadenosine,8-b-2-da,8-bromo-2?-deoxyadenosine,adenosine, 8-bromo-2'-deoxy,8-bromo-2-deoxyadenosine
InChI Key	NJBIVXMQFIQOGE-DWFKHXNSNA-N
Molecular Formula	C10H12BrN5O3

1,152

Selectophore™ Magnesium Ionophore III, Function Tested, MilliporeSigma™ Supelco™

CAS: 119110-38-2 Molecular Formula: C30H58N4O4 Molecular Weight (g/mol): 538.82 MDL Number: MFCD00144715 InChI Key: MXMJPDBVBJZBCA-UHFFFAOYSA-N Synonym: ETH 4030; N,N''-Octamethylene-bis(N'-heptyl-N'-methylmalonamide) IUPAC Name: N-heptyl-N'-(8-{2-[heptyl(methyl)carbamoyl]acetamido}octyl)-N-methylpropanediamide SMILES: CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC

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Specifications

CAS	119110-38-2
Molecular Weight (g/mol)	538.82
MDL Number	MFCD00144715
SMILES	CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC
Synonym	ETH 4030; N,N''-Octamethylene-bis(N'-heptyl-N'-methylmalonamide)
IUPAC Name	N-heptyl-N'-(8-{2-[heptyl(methyl)carbamoyl]acetamido}octyl)-N-methylpropanediamide
InChI Key	MXMJPDBVBJZBCA-UHFFFAOYSA-N
Molecular Formula	C30H58N4O4

1,153

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D-Glucurono-6,3-lactone acetonide, 98+%

CAS: 20513-98-8 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00061641 InChI Key: BDBGJSXZKMTMGP-BOFVIFSBSA-N Synonym: d-glucurono-6,3-lactone acetonide PubChem CID: 134129430 IUPAC Name: (3aS,3bS,6S,6aS,7aR)-6-hydroxy-2,2-dimethyl-3b,6,6a,7a-tetrahydro-3aH-furo[2,3]furo[2,4-b][1,3]dioxol-5-one SMILES: CC1(OC2C3C(C(C(=O)O3)O)OC2O1)C

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Specifications

PubChem CID	134129430
CAS	20513-98-8
Molecular Weight (g/mol)	216.189
MDL Number	MFCD00061641
SMILES	CC1(OC2C3C(C(C(=O)O3)O)OC2O1)C
Synonym	d-glucurono-6,3-lactone acetonide
IUPAC Name	(3aS,3bS,6S,6aS,7aR)-6-hydroxy-2,2-dimethyl-3b,6,6a,7a-tetrahydro-3aH-furo[2,3]furo[2,4-b][1,3]dioxol-5-one
InChI Key	BDBGJSXZKMTMGP-BOFVIFSBSA-N
Molecular Formula	C9H12O6

1,154

1,4 Butanediol, MP Biomedicals™

Molecular Weight (g/mol): 90.12 MDL Number: MFCD00002968 Synonym: Butane-1,4-diol,1,4-Butyleneglycol,1,4-Dihdyroxybutane,Tetramethylene 1,4-diol

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Specifications

Molecular Weight (g/mol)	90.12
MDL Number	MFCD00002968
Synonym	Butane-1,4-diol,1,4-Butyleneglycol,1,4-Dihdyroxybutane,Tetramethylene 1,4-diol

1,155

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Denatonium Benzoate, Anhydrous, Granular, NF, 99.5-101%, Spectrum™ Chemical

CAS: 3734-33-6 Molecular Formula: C28H34N2O3 Molecular Weight (g/mol): 446.59 MDL Number: MFCD00031578 InChI Key: VWTINHYPRWEBQY-UHFFFAOYSA-N IUPAC Name: benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate SMILES: [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1

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Specifications

CAS	3734-33-6
Molecular Weight (g/mol)	446.59
MDL Number	MFCD00031578
SMILES	[O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1
IUPAC Name	benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate
InChI Key	VWTINHYPRWEBQY-UHFFFAOYSA-N
Molecular Formula	C28H34N2O3

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Denatonium Benzoate, Anhydrous, Granular, NF, 99.5-101%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Denatonium Benzoate, Anhydrous, Granular, NF, 99.5-101%, Spectrum™ Chemical