AG002OT8

2462-35-3 | L-Leucine, phenylmethyl ester, hydrochloride (1:1)

AG002OT8

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CAS Number	2462-35-3
Catalog Number	AG002OT8(AGN-PC-0O87E5)
Chemical Name	L-Leucine, phenylmethyl ester, hydrochloride (1:1)
IUPAC Name	benzyl (2S)-2-amino-4-methylpentanoate;hydrochloride
InChI	InChI=1S/C13H19NO2.ClH/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H/t12-;/m0./s1
InChI Key	HCYLOEGSAOVRIT-YDALLXLXSA-N
MDL Number	MFCD00034855
Molecular Formula	C13H20ClNO2
Molecular Weight	257.7564
SMILES	Cl.C(OC(=O)[C@H](CC(C)C)N)c1ccccc1
Synonyms	2462-35-3, L-Leucine benzyl ester hydrochloride, (S)-Benzyl 2-amino-4-methylpentanoate hydrochloride, benzyl (2S)-2-amino-4-methylpentanoate hydrochloride, H-Leu-OBzl.HCl, SCHEMBL1810902, CTK7D1107, KS-00000KGW, DTXSID00513206, HCYLOEGSAOVRIT-YDALLXLXSA-N, 1877AB, MFCD00034855, AKOS016010057, AM81880, DS-4251, MCULE-8357123726, NE10900, AK115644, L-LEUCINE BENZYLESTER HYDROCHLORIDE, SC-09658, FT-0698085, Benzyl L-leucinate--hydrogen chloride (1/1), EN300-76958, L-Leucine, phenylmethyl ester, hydrochloride (1:1), Z1267881713, C13H20ClNO2, L-Leucinebenzylesterhydrochloride, ACN-033333, H-Leu-OBzl inverted exclamation mark currencyHCl, (S)-Benzyl2-amino-4-methylpentanoatehydrochloride,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	257.118g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.758g/mol
Monoisotopic Mass	257.118g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.3A^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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