AG003RCI

54518-92-2 | L-Leucine chloromethyl ketone HCl

AG003RCI

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CAS Number	54518-92-2
Catalog Number	AG003RCI(AGN-PC-0OC2MF)
Chemical Name	L-Leucine chloromethyl ketone HCl
IUPAC Name	(3S)-3-amino-1-chloro-5-methylhexan-2-one;hydrochloride
InChI	InChI=1S/C7H14ClNO.ClH/c1-5(2)3-6(9)7(10)4-8;/h5-6H,3-4,9H2,1-2H3;1H/t6-;/m0./s1
InChI Key	DRZZRBOLWKRHPF-RGMNGODLSA-N
MDL Number	MFCD00238011
Molecular Formula	C7H15Cl2NO
Molecular Weight	200.1061
SMILES	ClCC([C@@H](N)CC(C)C)=O.Cl
Synonyms	54518-92-2, H-Leu-CMK.HCl, (S)-3-Amino-1-chloro-5-methylhexan-2-one hydrochloride, H-Leu-chloromethylketone HCl, AK-89151, H-LeuCH2Cl HCl, H-LeuCH2Cl.HCl, SCHEMBL9787666, H-Leu-chloromethylketone . HCl, KS-00000GHS, DRZZRBOLWKRHPF-RGMNGODLSA-N, L-Leucine chloromethyl ketone HCl, 7883AB, ANW-60603, MFCD00238011, H-Leu-Chloromethylketone hydrochloride, AKOS015894461, DS-18584, AX8136532, TC-149348, FT-0694198, ST24036110, K-9825, I05-0632, (3S)-3-amino-1-chloro-5-methylhexan-2-one hydrochloride, 2-Hexanone,3-amino-1-chloro-5-methyl-,hydrochloride,(S)-, C7H15Cl2NO, H-Leu-CMK.HCl - 1G 1g, L-Leucine chloromethyl ketone hydrochloride, A7218,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	199.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.103g/mol
Monoisotopic Mass	199.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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