AG001ROL

16010-98-3 | Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-

AG001ROL

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CAS Number	16010-98-3
Catalog Number	AG001ROL(AGN-PC-0Q7TLS)
Chemical Name	Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-
IUPAC Name	(2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide;hydrochloride
InChI	InChI=1S/C12H17N3O3.ClH/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18;/h3-6,8,11H,7,13H2,1-2H3,(H,14,16);1H/t11-;/m0./s1
InChI Key	PFOYXOWPGRWPLS-MERQFXBCSA-N
MDL Number	MFCD00058248
Molecular Formula	C12H18ClN3O3
Molecular Weight	287.7426
SMILES	CC(C)C[C@H](N)C(NC1=CC=C([N+]([O-])=O)C=C1)=O.[H]Cl
Synonyms	16010-98-3, (S)-2-Amino-4-methyl-N-(4-nitrophenyl)pentanamide hydrochloride, L-Leucine p-nitroanilide hydrochloride, AK-63433, l-leucine-4-nitroanilide hydrochloride, H-Leu-pNA?Cl, L-Leucine 4-nitroanilide hydrochloride, SCHEMBL8760813, CTK8C0024, KS-00000KDB, DTXSID30585198, L-Leucine4-nitroanilidehydrochloride, ANW-63898, AKOS015903326, AM81896, AC-28031, DS-15247, AB1006936, AX8032141, TC-152643, FT-0688552, ST24036002, Z3215, 010L983, I14-18947, I14-37387, L-Leucine p-nitroanilide hydrochloride, >=98% (TLC), N-(4-Nitrophenyl)-L-leucinamide--hydrogen chloride (1/1), (2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide,hydrochloride, (2S)-2-Amino-4-methyl-N-(4-nitrophenyl)-pentanamide monohydrochloride, Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-, PENTANAMIDE,2-AMINO-4-METHYL-N-(4-NITROPHENYL)-, MONOHYDROCHLORIDE, (2S)- (9CI), null, C12H18ClN3O3, PFOYXOWPGRWPLS-MERQFXBCSA-N, ACN-033332, H-Leu-pNA inverted exclamation mark currencyHCl, L-Leucine p-nitroanilide hydrochloride, 98% - 1G 1g, (S)-2-Amino-4-methyl-N-(4-nitrophenyl)pentanamidehydrochloride,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	287.104g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	287.744g/mol
Monoisotopic Mass	287.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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