AG00IBRS

679789-35-6 | (S)-3-Amino-4-methyl-pentanoic acid methyl ester, HCl

AG00IBRS

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CAS Number	679789-35-6
Catalog Number	AG00IBRS(AGN-PC-0OGEU4)
Chemical Name	(S)-3-Amino-4-methyl-pentanoic acid methyl ester, HCl
IUPAC Name	methyl (3S)-3-amino-4-methylpentanoate;hydrochloride
InChI	InChI=1S/C7H15NO2.ClH/c1-5(2)6(8)4-7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
InChI Key	PPXNDBYZDBBPCL-RGMNGODLSA-N
MDL Number	MFCD12068618
Molecular Formula	C7H16ClNO2
Molecular Weight	181.6604
SMILES	Cl.N[C@@H](CC(=O)OC)C(C)C
Synonyms	679789-35-6, (S)-Methyl 3-amino-4-methylpentanoate hydrochloride, METHYL (S)-HOMO-BETA-VALINATE HCL, MFCD12068618, AS-40286, AX8267051, Methyl (S)-homo-beta-valinate hydrochloride, X-1879, (S)-3-Amino-4-methyl-pentanoic acid methyl ester, HCl, Pentanoic acid, 3-amino-4-methyl-, methyl ester, hydrochloride, (3S)-, (S)-3-Amino-4-methyl-pentanoic acid methyl ester hydrochloride,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	181.087g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.66g/mol
Monoisotopic Mass	181.087g/mol
Rotatable Bond Count	4
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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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