Unclassified Organic Compounds

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

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

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D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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Specifications

CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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Specifications

PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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Specifications

CAS	64742-47-8
MDL Number	MFCD00135561

Thermo Scientific Chemicals N-Carbobenzyloxy-L-serine, 99+%

CAS: 1145-80-8 Molecular Formula: C11H13NO5 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00002662 InChI Key: GNIDSOFZAKMQAO-UHFFFAOYNA-N Synonym: z-ser-oh,n-cbz-l-serine,benzyloxycarbonylserine,z-l-serine,carbobenzyloxy-l-serine,n-carbobenzyloxy-l-serine,cbz-l-ser-oh,n-carbobenzoxy-l-serine,n-benzyloxycarbonyl-l-serine,cbz-l-serine PubChem CID: 100310 IUPAC Name: (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: OCC(NC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	100310
CAS	1145-80-8
Molecular Weight (g/mol)	239.23
MDL Number	MFCD00002662
SMILES	OCC(NC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	z-ser-oh,n-cbz-l-serine,benzyloxycarbonylserine,z-l-serine,carbobenzyloxy-l-serine,n-carbobenzyloxy-l-serine,cbz-l-ser-oh,n-carbobenzoxy-l-serine,n-benzyloxycarbonyl-l-serine,cbz-l-serine
IUPAC Name	(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	GNIDSOFZAKMQAO-UHFFFAOYNA-N
Molecular Formula	C11H13NO5

Thermo Scientific Chemicals L-Alanine methyl ester hydrochloride, 99%

CAS: 2491-20-5 Molecular Formula: C4H10ClNO2 Molecular Weight (g/mol): 139.58 MDL Number: MFCD00063663 InChI Key: IYUKFAFDFHZKPI-DOIAFFBONA-N Synonym: l-alanine methyl ester hydrochloride,h-ala-ome.hcl,s-methyl 2-aminopropanoate hydrochloride,methyl l-alaninate hydrochloride,h-ala-ome hcl,alanine methyl ester hydrochloride,methyl 2s-2-aminopropanoate hydrochloride,l-ala-ome hcl,d-alanyl ester hydrochloride,l-alanine methyl ester hcl PubChem CID: 2733257 IUPAC Name: methyl (2S)-2-aminopropanoate;hydrochloride SMILES: Cl.COC(=O)[C@H](C)N

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Specifications

PubChem CID	2733257
CAS	2491-20-5
Molecular Weight (g/mol)	139.58
MDL Number	MFCD00063663
SMILES	Cl.COC(=O)[C@H](C)N
Synonym	l-alanine methyl ester hydrochloride,h-ala-ome.hcl,s-methyl 2-aminopropanoate hydrochloride,methyl l-alaninate hydrochloride,h-ala-ome hcl,alanine methyl ester hydrochloride,methyl 2s-2-aminopropanoate hydrochloride,l-ala-ome hcl,d-alanyl ester hydrochloride,l-alanine methyl ester hcl
IUPAC Name	methyl (2S)-2-aminopropanoate;hydrochloride
InChI Key	IYUKFAFDFHZKPI-DOIAFFBONA-N
Molecular Formula	C4H10ClNO2

2-Oxocyclohexanepropionitrile, 99%

CAS: 4594-78-9 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00013797 InChI Key: SPTVCXKSSRBTMN-UHFFFAOYNA-N Synonym: 3-2-oxocyclohexyl propanenitrile,2-2-cyanoethyl cyclohexanone,cyclohexanepropanenitrile, 2-oxo,2-2-cyanethyl cyclohexanone,2-oxo-1-cyclohexanepropionitrile,cyclohexanepropionitrile, 2-oxo,2-oxocyclohexanepropionitrile,2-.beta.-cyanoethyl cyclohexanone,2-b-cyanoethyl cyclohexanone,2-oxocyclohexanepropiononitrile PubChem CID: 96223 IUPAC Name: 3-(2-oxocyclohexyl)propanenitrile SMILES: O=C1CCCCC1CCC#N

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Specifications

PubChem CID	96223
CAS	4594-78-9
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00013797
SMILES	O=C1CCCCC1CCC#N
Synonym	3-2-oxocyclohexyl propanenitrile,2-2-cyanoethyl cyclohexanone,cyclohexanepropanenitrile, 2-oxo,2-2-cyanethyl cyclohexanone,2-oxo-1-cyclohexanepropionitrile,cyclohexanepropionitrile, 2-oxo,2-oxocyclohexanepropionitrile,2-.beta.-cyanoethyl cyclohexanone,2-b-cyanoethyl cyclohexanone,2-oxocyclohexanepropiononitrile
IUPAC Name	3-(2-oxocyclohexyl)propanenitrile
InChI Key	SPTVCXKSSRBTMN-UHFFFAOYNA-N
Molecular Formula	C9H13NO

Thermo Scientific Chemicals D-allo-Isoleucine, 97%

CAS: 1509-35-9 Molecular Formula: C6H13NO2 Molecular Weight (g/mol): 131.18 MDL Number: MFCD00066445 InChI Key: AGPKZVBTJJNPAG-CRCLSJGQSA-N Synonym: d-alloisoleucine,d-allo-isoleucine,2r,3s-2-amino-3-methylpentanoic acid,allo-d-isoleucine,alloisoleucine, d,h-d-allo-ile-oh,threo-d-isoleucine,dl-allo-isoleucine,hile,h-dl-allo-ile-oh PubChem CID: 94206 ChEBI: CHEBI:20899 IUPAC Name: (2R,3S)-2-amino-3-methylpentanoic acid SMILES: CC[C@H](C)[C@@H](N)C(O)=O

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Specifications

PubChem CID	94206
CAS	1509-35-9
Molecular Weight (g/mol)	131.18
ChEBI	CHEBI:20899
MDL Number	MFCD00066445
SMILES	CC[C@H](C)[C@@H](N)C(O)=O
Synonym	d-alloisoleucine,d-allo-isoleucine,2r,3s-2-amino-3-methylpentanoic acid,allo-d-isoleucine,alloisoleucine, d,h-d-allo-ile-oh,threo-d-isoleucine,dl-allo-isoleucine,hile,h-dl-allo-ile-oh
IUPAC Name	(2R,3S)-2-amino-3-methylpentanoic acid
InChI Key	AGPKZVBTJJNPAG-CRCLSJGQSA-N
Molecular Formula	C6H13NO2

N-Fmoc-4-iodo-L-phenylalanine, 95%

CAS: 82565-68-2 Molecular Formula: C24H20INO4 Molecular Weight (g/mol): 513.33 MDL Number: MFCD00672340 InChI Key: LXOXXTQKKRJNNB-QFIPXVFZSA-N Synonym: fmoc-4-iodo-l-phenylalanine,fmoc-phe 4-i-oh,fmoc-l-4-iodophenylalanine,fmoc-l-phe 4-i-oh,fmoc-p-iodo-phe-oh,fmoc-4'-iodo-l-phe,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-4-iodophenyl propanoic acid,fmoc-l-phe 4-i,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-3-4-iodophenyl propanoic acid,l-phenylalanine, n-9h-fluoren-9-ylmethoxy carbonyl-4-iodo PubChem CID: 2761479 SMILES: OC(=O)[C@H](CC1=CC=C(I)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	2761479
CAS	82565-68-2
Molecular Weight (g/mol)	513.33
MDL Number	MFCD00672340
SMILES	OC(=O)[C@H](CC1=CC=C(I)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym	fmoc-4-iodo-l-phenylalanine,fmoc-phe 4-i-oh,fmoc-l-4-iodophenylalanine,fmoc-l-phe 4-i-oh,fmoc-p-iodo-phe-oh,fmoc-4'-iodo-l-phe,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-4-iodophenyl propanoic acid,fmoc-l-phe 4-i,2s-2-9h-fluoren-9-ylmethoxycarbonylamino-3-4-iodophenyl propanoic acid,l-phenylalanine, n-9h-fluoren-9-ylmethoxy carbonyl-4-iodo
InChI Key	LXOXXTQKKRJNNB-QFIPXVFZSA-N
Molecular Formula	C24H20INO4

4-n-Pentylcyclohexanone, 98+%

CAS: 61203-83-6 Molecular Formula: C11H20O Molecular Weight (g/mol): 168.28 MDL Number: MFCD00059581 InChI Key: UKLNPJDLSPMJMQ-UHFFFAOYSA-N Synonym: 4-pentylcyclohexanone,4-n-pentylcyclohexanone,4-amylcyclohexanone,4-n-amylcyclohexanone,4-pentyl-1-cyclohexanone,4-pentylcyclo hexanone,pubchem20247,acmc-209mq3,uklnpjdlspmjmq-uhfffaoysa PubChem CID: 566097 IUPAC Name: 4-pentylcyclohexan-1-one SMILES: CCCCCC1CCC(=O)CC1

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Specifications

PubChem CID	566097
CAS	61203-83-6
Molecular Weight (g/mol)	168.28
MDL Number	MFCD00059581
SMILES	CCCCCC1CCC(=O)CC1
Synonym	4-pentylcyclohexanone,4-n-pentylcyclohexanone,4-amylcyclohexanone,4-n-amylcyclohexanone,4-pentyl-1-cyclohexanone,4-pentylcyclo hexanone,pubchem20247,acmc-209mq3,uklnpjdlspmjmq-uhfffaoysa
IUPAC Name	4-pentylcyclohexan-1-one
InChI Key	UKLNPJDLSPMJMQ-UHFFFAOYSA-N
Molecular Formula	C11H20O

Benzyl glycinate hydrochloride, 98%

CAS: 2462-31-9 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD00035442 InChI Key: VLQHNAMRWPQWNK-UHFFFAOYSA-N Synonym: benzyl glycinate hydrochloride,benzyl 2-aminoacetate hydrochloride,glycine benzyl ester hydrochloride,h-dl-gly-obzl.hcl,benzyl glycinate hcl,h-gly-obzl.hcl,benzyl glycinate,h-gly-obzl hcl,glycine benzyl ester hcl,glycine, phenylmethyl ester, hydrochloride PubChem CID: 11701227 IUPAC Name: benzyl 2-aminoacetate;hydrochloride SMILES: C1=CC=C(C=C1)COC(=O)CN.Cl

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Specifications

PubChem CID	11701227
CAS	2462-31-9
Molecular Weight (g/mol)	201.65
MDL Number	MFCD00035442
SMILES	C1=CC=C(C=C1)COC(=O)CN.Cl
Synonym	benzyl glycinate hydrochloride,benzyl 2-aminoacetate hydrochloride,glycine benzyl ester hydrochloride,h-dl-gly-obzl.hcl,benzyl glycinate hcl,h-gly-obzl.hcl,benzyl glycinate,h-gly-obzl hcl,glycine benzyl ester hcl,glycine, phenylmethyl ester, hydrochloride
IUPAC Name	benzyl 2-aminoacetate;hydrochloride
InChI Key	VLQHNAMRWPQWNK-UHFFFAOYSA-N
Molecular Formula	C9H12ClNO2

Thermo Scientific Chemicals L(+)-Histidine methyl ester dihydrochloride, 97%

CAS: 7389-87-9 Molecular Formula: C7H11ClN3O2 Molecular Weight (g/mol): 204.63 MDL Number: MFCD00012701 InChI Key: VXXIPPPPKNWFLK-UHFFFAOYNA-N Synonym: l-histidine methyl ester dihydrochloride,h-his-ome.2hcl,methyl l-histidinate dihydrochloride,l-histidine, methyl ester, dihydrochloride,s-methyl 2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,l-+-histidine methyl ester dihydrochloride,methyl 2s-2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,methyl 2s-2-amino-3-3h-imidazol-4-yl propanoate dihydrochloride,histidine methyl ester dihydrochloride,c7h11n3o2.2hcl PubChem CID: 2723645 IUPAC Name: methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride SMILES: [Cl].COC(=O)C(N)CC1=CN=CN1

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Specifications

PubChem CID	2723645
CAS	7389-87-9
Molecular Weight (g/mol)	204.63
MDL Number	MFCD00012701
SMILES	[Cl].COC(=O)C(N)CC1=CN=CN1
Synonym	l-histidine methyl ester dihydrochloride,h-his-ome.2hcl,methyl l-histidinate dihydrochloride,l-histidine, methyl ester, dihydrochloride,s-methyl 2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,l-+-histidine methyl ester dihydrochloride,methyl 2s-2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,methyl 2s-2-amino-3-3h-imidazol-4-yl propanoate dihydrochloride,histidine methyl ester dihydrochloride,c7h11n3o2.2hcl
IUPAC Name	methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
InChI Key	VXXIPPPPKNWFLK-UHFFFAOYNA-N
Molecular Formula	C7H11ClN3O2

2-Methyl-1,3-cyclopentanedione, 98%

CAS: 765-69-5 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00001406 InChI Key: HXZILEQYFQYQCE-UHFFFAOYSA-N Synonym: 2-methyl-1,3-cyclopentanedione,1,3-cyclopentanedione, 2-methyl,2-methyl-1,3-cyclopentadione,2-methyl-cyclopentane-1,3-dione,unii-c9lg5vp01c,c9lg5vp01c,methylcycle-d,pubchem2206,acmc-209p4n,benzil-related compound, 46 PubChem CID: 13005 IUPAC Name: 2-methylcyclopentane-1,3-dione SMILES: CC1C(=O)CCC1=O

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Specifications

PubChem CID	13005
CAS	765-69-5
Molecular Weight (g/mol)	112.13
MDL Number	MFCD00001406
SMILES	CC1C(=O)CCC1=O
Synonym	2-methyl-1,3-cyclopentanedione,1,3-cyclopentanedione, 2-methyl,2-methyl-1,3-cyclopentadione,2-methyl-cyclopentane-1,3-dione,unii-c9lg5vp01c,c9lg5vp01c,methylcycle-d,pubchem2206,acmc-209p4n,benzil-related compound, 46
IUPAC Name	2-methylcyclopentane-1,3-dione
InChI Key	HXZILEQYFQYQCE-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

Methylcyclopentadiene dimer, 90%, stabilized

CAS: 26472-00-4 Molecular Formula: C₁₂H₁₆ Molecular Weight (g/mol): 160.26 MDL Number: MFCD00082297

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CAS	26472-00-4
Molecular Weight (g/mol)	160.26
MDL Number	MFCD00082297
Molecular Formula	C₁₂H₁₆

(+/-)-Boc-alpha-phosphonoglycine trimethyl ester, 95%

CAS: 89524-98-1 Molecular Formula: C10H20NO7P Molecular Weight (g/mol): 297.24 MDL Number: MFCD02178893 InChI Key: LJHAPRKTPAREGO-ZETCQYMHSA-N Synonym: methyl 2-tert-butoxycarbonyl amino-2-dimethoxyphosphoryl acetate,+/--boc-alpha-phosphonoglycine trimethyl ester,n-boc-2-phosphonoglycine trimethyl ester,methyl n-boc-2-dimethylphosphono glycinate,methyl 2-tert-butoxycarbonylamino-2-dimethoxyphosphoryl-acetate,boc-alpha-phosphonoglycine trimethyl ester,n-butoxycarbonyl trimethylphosphonoglycine,methyl 2-tert-butoxy carbonyl amino-2-dimethoxyphosphoryl acetate,boc-a-phosphonoglycine trimethyl ester,boc-?-phosphonoglycine trimethyl ester PubChem CID: 397380 IUPAC Name: methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate SMILES: COC(=O)[C@@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC

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Specifications

PubChem CID	397380
CAS	89524-98-1
Molecular Weight (g/mol)	297.24
MDL Number	MFCD02178893
SMILES	COC(=O)[C@@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC
Synonym	methyl 2-tert-butoxycarbonyl amino-2-dimethoxyphosphoryl acetate,+/--boc-alpha-phosphonoglycine trimethyl ester,n-boc-2-phosphonoglycine trimethyl ester,methyl n-boc-2-dimethylphosphono glycinate,methyl 2-tert-butoxycarbonylamino-2-dimethoxyphosphoryl-acetate,boc-alpha-phosphonoglycine trimethyl ester,n-butoxycarbonyl trimethylphosphonoglycine,methyl 2-tert-butoxy carbonyl amino-2-dimethoxyphosphoryl acetate,boc-a-phosphonoglycine trimethyl ester,boc-?-phosphonoglycine trimethyl ester
IUPAC Name	methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI Key	LJHAPRKTPAREGO-ZETCQYMHSA-N
Molecular Formula	C10H20NO7P

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