Unclassified Organic Compounds

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

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631 – 645 of 162,840 results

631

Cobalt(II) benzoate

CAS: 932-69-4 Molecular Formula: C14H10CoO4 Molecular Weight (g/mol): 301.16 MDL Number: MFCD00050769 InChI Key: GAYAMOAYBXKUII-UHFFFAOYSA-L Synonym: cobalt 2+ dibenzoate,cobalt ii benzoate,cobalt dibenzoate,cobalt benzoate,benzoic acid, cobalt 2+ salt,benzoic acid, cobalt 2+ salt 2:1,cobaltous benzoate,dibenzoic acid cobalt ii salt PubChem CID: 164760 IUPAC Name: cobalt(2+);dibenzoate SMILES: [Co++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	164760
CAS	932-69-4
Molecular Weight (g/mol)	301.16
MDL Number	MFCD00050769
SMILES	[Co++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1
Synonym	cobalt 2+ dibenzoate,cobalt ii benzoate,cobalt dibenzoate,cobalt benzoate,benzoic acid, cobalt 2+ salt,benzoic acid, cobalt 2+ salt 2:1,cobaltous benzoate,dibenzoic acid cobalt ii salt
IUPAC Name	cobalt(2+);dibenzoate
InChI Key	GAYAMOAYBXKUII-UHFFFAOYSA-L
Molecular Formula	C14H10CoO4

632

LiChropur™ Sodium 1-octanesulfonate monohydrate , ≥99.0% (T), MilliporeSigma™ Supelco™

MDL Number: MFCD00149551 Synonym: 1-Octanesulfonic acid sodium salt monohydrate

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Specifications

MDL Number	MFCD00149551
Synonym	1-Octanesulfonic acid sodium salt monohydrate

633

Methyl 3,4,5-trihydroxybenzoate, 99%

CAS: 99-24-1 Molecular Formula: C₈H₈O₅ Molecular Weight (g/mol): 184.15 MDL Number: MFCD00002194 InChI Key: FBSFWRHWHYMIOG-UHFFFAOYSA-N Synonym: methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675 PubChem CID: 7428 IUPAC Name: methyl 3,4,5-trihydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O

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Specifications

PubChem CID	7428
CAS	99-24-1
Molecular Weight (g/mol)	184.15
MDL Number	MFCD00002194
SMILES	COC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	methyl gallate,gallic acid methyl ester,methylgallate,benzoic acid, 3,4,5-trihydroxy-, methyl ester,gallic acid, methyl ester,methyl galloate,unii-623d3xg80c,ccris 5567,3,4,5-trihydroxybenzoic acid methyl ester,chembl65675
IUPAC Name	methyl 3,4,5-trihydroxybenzoate
InChI Key	FBSFWRHWHYMIOG-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₅

634

Sarcosine ethyl ester hydrochloride, 98+%

CAS: 52605-49-9 Molecular Formula: C5H12ClNO2 Molecular Weight (g/mol): 153.61 MDL Number: MFCD00012506 InChI Key: NIDZUMSLERGAON-UHFFFAOYSA-N Synonym: sarcosine ethyl ester hydrochloride,ethyl sarcosinate hydrochloride,ethyl 2-methylamino acetate hydrochloride,h-sar-oet.hcl,ethyl n-methylaminoacetate hydrochloride,me-gly-oet.hcl,n-methylglycine ethyl ester hydrochloride,glycine, n-methyl-, ethyl ester, hydrochloride,ethyl n-methylglycinate hydrochloride,n-methyl glycine ethyl ester hydrochloride PubChem CID: 171173 SMILES: [H+].[Cl-].CCOC(=O)CNC

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Specifications

PubChem CID	171173
CAS	52605-49-9
Molecular Weight (g/mol)	153.61
MDL Number	MFCD00012506
SMILES	[H+].[Cl-].CCOC(=O)CNC
Synonym	sarcosine ethyl ester hydrochloride,ethyl sarcosinate hydrochloride,ethyl 2-methylamino acetate hydrochloride,h-sar-oet.hcl,ethyl n-methylaminoacetate hydrochloride,me-gly-oet.hcl,n-methylglycine ethyl ester hydrochloride,glycine, n-methyl-, ethyl ester, hydrochloride,ethyl n-methylglycinate hydrochloride,n-methyl glycine ethyl ester hydrochloride
InChI Key	NIDZUMSLERGAON-UHFFFAOYSA-N
Molecular Formula	C5H12ClNO2

635

Manganese(III) 2,4-pentanedionate

CAS: 14284-89-0 Molecular Formula: C15H21MnO6 Molecular Weight (g/mol): 352.27 MDL Number: MFCD00000023 InChI Key: HYZQBNDRDQEWAN-LNTINUHCSA-K Synonym: mn iii acetylacetonate,tris acetylacetonato manganese iii PubChem CID: 122130696 IUPAC Name: manganese(3+);(E)-4-oxopent-2-en-2-olate SMILES: [Mn+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

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Specifications

PubChem CID	122130696
CAS	14284-89-0
Molecular Weight (g/mol)	352.27
MDL Number	MFCD00000023
SMILES	[Mn+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym	mn iii acetylacetonate,tris acetylacetonato manganese iii
IUPAC Name	manganese(3+);(E)-4-oxopent-2-en-2-olate
InChI Key	HYZQBNDRDQEWAN-LNTINUHCSA-K
Molecular Formula	C15H21MnO6

636

Ethyl 4-oxocyclohexanecarboxylate, 97%, Thermo Scientific Chemicals

CAS: 17159-79-4 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00013285 InChI Key: ZXYAWONOWHSQRU-UHFFFAOYSA-N Synonym: ethyl 4-oxocyclohexanecarboxylate,ethyl 4-cyclohexanonecarboxylate,4-ethoxycarbonyl cyclohexanone,ethyl cyclohexanone-4-carboxylate,ethyl-4-oxo-cyclohexane carboxylate,4-oxo-cyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-oxo-, ethyl ester,ethyl4-oxocyclohexanecarboxylate,4-cyclohexanonecarboxylic acid ethyl ester,ethyl 4-oxocyclohexane carboxylate PubChem CID: 317638 IUPAC Name: ethyl 4-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(=O)CC1

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Specifications

PubChem CID	317638
CAS	17159-79-4
Molecular Weight (g/mol)	170.21
MDL Number	MFCD00013285
SMILES	CCOC(=O)C1CCC(=O)CC1
Synonym	ethyl 4-oxocyclohexanecarboxylate,ethyl 4-cyclohexanonecarboxylate,4-ethoxycarbonyl cyclohexanone,ethyl cyclohexanone-4-carboxylate,ethyl-4-oxo-cyclohexane carboxylate,4-oxo-cyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-oxo-, ethyl ester,ethyl4-oxocyclohexanecarboxylate,4-cyclohexanonecarboxylic acid ethyl ester,ethyl 4-oxocyclohexane carboxylate
IUPAC Name	ethyl 4-oxocyclohexane-1-carboxylate
InChI Key	ZXYAWONOWHSQRU-UHFFFAOYSA-N
Molecular Formula	C9H14O3

637

N-Boc-L-glutamic acid 5-tert-butyl ester, 99%

CAS: 13726-84-6 Molecular Formula: C14H25NO6 Molecular Weight (g/mol): 303.355 MDL Number: MFCD00038257 InChI Key: YGSRAYJBEREVRB-VIFPVBQESA-N Synonym: boc-glu otbu-oh,boc-l-glu otbu-oh,s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-l-glutamic acid 5-tert-butyl ester,n-boc-l-glutamic acid 5-tert-butyl ester,n-tert-butoxycarbonyl-l-glutamic acid gamma-tert-butyl ester,2s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-glu otbu,ambotzbaa1297,pubchem18923 PubChem CID: 6993432 IUPAC Name: (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid SMILES: CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	6993432
CAS	13726-84-6
Molecular Weight (g/mol)	303.355
MDL Number	MFCD00038257
SMILES	CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Synonym	boc-glu otbu-oh,boc-l-glu otbu-oh,s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-l-glutamic acid 5-tert-butyl ester,n-boc-l-glutamic acid 5-tert-butyl ester,n-tert-butoxycarbonyl-l-glutamic acid gamma-tert-butyl ester,2s-5-tert-butoxy-2-tert-butoxycarbonyl amino-5-oxopentanoic acid,boc-glu otbu,ambotzbaa1297,pubchem18923
IUPAC Name	(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI Key	YGSRAYJBEREVRB-VIFPVBQESA-N
Molecular Formula	C14H25NO6

638

Methyl (S)-1-Boc-5-oxopyrrolidine-2-carboxylate, 98%

CAS: 108963-96-8 Molecular Formula: C11H17NO5 Molecular Weight (g/mol): 243.259 MDL Number: MFCD06809720 InChI Key: FNTAOUUEQHKLIU-ZETCQYMHSA-N Synonym: boc-l-pyroglutamic acid methyl ester,boc-pyr-ome,s-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate,methyl l-n-boc-pyroglutamate,1-tert-butyl 2-methyl 2s-5-oxopyrrolidine-1,2-dicarboxylate,methyl boc-l-pyroglutamate,s-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester,1-tert-butyl 2-methyl s-5-oxopyrrolidine-1,2-dicarboxylate,boc-pglu-ome,pubchem12135 PubChem CID: 10868485 IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate SMILES: CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC

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Specifications

PubChem CID	10868485
CAS	108963-96-8
Molecular Weight (g/mol)	243.259
MDL Number	MFCD06809720
SMILES	CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC
Synonym	boc-l-pyroglutamic acid methyl ester,boc-pyr-ome,s-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate,methyl l-n-boc-pyroglutamate,1-tert-butyl 2-methyl 2s-5-oxopyrrolidine-1,2-dicarboxylate,methyl boc-l-pyroglutamate,s-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester,1-tert-butyl 2-methyl s-5-oxopyrrolidine-1,2-dicarboxylate,boc-pglu-ome,pubchem12135
IUPAC Name	1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
InChI Key	FNTAOUUEQHKLIU-ZETCQYMHSA-N
Molecular Formula	C11H17NO5

639

N-Boc-3,5-difluoro-L-phenylalanine, 95%

CAS: 205445-52-9 Molecular Formula: C14H17F2NO4 Molecular Weight (g/mol): 301.29 MDL Number: MFCD00797555 InChI Key: CZBNUDVCRKSYDG-NSHDSACASA-N Synonym: boc-phe 3,5-dif-oh,boc-l-3,5-difluorophenylalanine,boc-l-3,5-difluorophe,s-n-boc-3,5-difluorophenylalanine,boc-phe 3,5-f2-oh,boc-3,5-difluoro-l-phenylalanine,2s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propanoic acid,s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propanoic acid,phenylalanine, n-1,1-dimethylethoxy carbonyl-3,5-difluoro,2s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propionic acid PubChem CID: 2779009 IUPAC Name: (2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1)F)F)C(=O)O

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Specifications

PubChem CID	2779009
CAS	205445-52-9
Molecular Weight (g/mol)	301.29
MDL Number	MFCD00797555
SMILES	CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1)F)F)C(=O)O
Synonym	boc-phe 3,5-dif-oh,boc-l-3,5-difluorophenylalanine,boc-l-3,5-difluorophe,s-n-boc-3,5-difluorophenylalanine,boc-phe 3,5-f2-oh,boc-3,5-difluoro-l-phenylalanine,2s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propanoic acid,s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propanoic acid,phenylalanine, n-1,1-dimethylethoxy carbonyl-3,5-difluoro,2s-2-tert-butoxycarbonyl amino-3-3,5-difluorophenyl propionic acid
IUPAC Name	(2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key	CZBNUDVCRKSYDG-NSHDSACASA-N
Molecular Formula	C14H17F2NO4

640

L-Thryoxine, 98.5%, MP Biomedicals™

CAS: 51-48-9 Molecular Formula: C15H11I4NO4 Molecular Weight (g/mol): 776.87 MDL Number: MFCD00002595 InChI Key: XUIIKFGFIJCVMT-UHFFFAOYNA-N Synonym: l-thyroxine,levothyroxine,thyroxine,thyroxin,synthroid,tetraiodothyronine,thyrax,levothyroxin,thyratabs,thyreoideum PubChem CID: 5819 ChEBI: CHEBI:18332 IUPAC Name: 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid SMILES: NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O

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Specifications

PubChem CID	5819
CAS	51-48-9
Molecular Weight (g/mol)	776.87
ChEBI	CHEBI:18332
MDL Number	MFCD00002595
SMILES	NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
Synonym	l-thyroxine,levothyroxine,thyroxine,thyroxin,synthroid,tetraiodothyronine,thyrax,levothyroxin,thyratabs,thyreoideum
IUPAC Name	2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
InChI Key	XUIIKFGFIJCVMT-UHFFFAOYNA-N
Molecular Formula	C15H11I4NO4

641

LiChropur™ Silylating Mixture I, According to Sweeley, For GC Derivatization, MilliporeSigma™ Supelco™

Useful silylating mixture for the silylation of hydroxy-compounds

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Specifications

CAS	318974-69-5
MDL Number	MFCD00213951
Grade	For GC derivatization
Synonym	Chlorotrimethylsilane - hexamethyldisilazane mixture; Sylon(TM) HTP; hexamethyldisilazane/chlorotrimethylsilane/pyridine = 2:1:10 (v/v/v); HMDS + TMCS
Product Line	Sylon

642

LiChropur™ Sodium tetrapropylborate, ≥85.0% (T), MilliporeSigma™ Supelco™

MDL Number: MFCD04972612

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Specifications

MDL Number	MFCD04972612

643

Antipain Hydrochloride MP Biomedicals

CAS: 37691-11-5 Molecular Formula: C27H44N10O6 Molecular Weight (g/mol): 604.71 MDL Number: MFCD00135959 InChI Key: SDNYTAYICBFYFH-TUFLPTIASA-N Synonym: antipain,antipain hydrochloride dihydrate,antipain, >50000 u/mg,s-1-carboxy-2-phenylethyl carbamoyl-l-arginyl-l-valyl-argininal,2s-2-1s-4-carbamimidamido-1-1s-1-5-carbamimidamido-1-oxopentan-2-yl carbamoyl-2-methylpropyl carbamoyl butyl carbamoyl amino-3-phenylpropanoic acid PubChem CID: 133126507 IUPAC Name: (2S)-2-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(1S)-1-{[(2S)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}amino)-3-phenylpropanoic acid SMILES: CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O

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Specifications

PubChem CID	133126507
CAS	37691-11-5
Molecular Weight (g/mol)	604.71
MDL Number	MFCD00135959
SMILES	CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Synonym	antipain,antipain hydrochloride dihydrate,antipain, >50000 u/mg,s-1-carboxy-2-phenylethyl carbamoyl-l-arginyl-l-valyl-argininal,2s-2-1s-4-carbamimidamido-1-1s-1-5-carbamimidamido-1-oxopentan-2-yl carbamoyl-2-methylpropyl carbamoyl butyl carbamoyl amino-3-phenylpropanoic acid
IUPAC Name	(2S)-2-({[(1S)-4-[(diaminomethylidene)amino]-1-{[(1S)-1-{[(2S)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}amino)-3-phenylpropanoic acid
InChI Key	SDNYTAYICBFYFH-TUFLPTIASA-N
Molecular Formula	C27H44N10O6

644

Tetrapentacontane, Standard for GC Analysis, MilliporeSigma™ Supelco™

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645

TraceCERT™ Organophosphorous Pesticide Mix A, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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