AG00IBJ3

65845-56-9 | b-Alanine, N-methyl-, hydrochloride

AG00IBJ3

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CAS Number	65845-56-9
Catalog Number	AG00IBJ3(AGN-PC-0TIH60)
Chemical Name	b-Alanine, N-methyl-, hydrochloride
IUPAC Name	3-(methylamino)propanoic acid;hydrochloride
InChI	InChI=1S/C4H9NO2.ClH/c1-5-3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
InChI Key	NMVZBHCSFYRWFC-UHFFFAOYSA-N
MDL Number	MFCD03490507
Molecular Formula	C4H10ClNO2
Molecular Weight	139.5807
SMILES	Cl.C(C(=O)O)CNC
Synonyms	3-(methylamino)propanoic acid hydrochloride, 65845-56-9, N-Methyl-beta-alanine hydrochloride, AC1Q3BTO, SCHEMBL792974, methyl beta-alanine hydrochloride, CTK6I5562, NMVZBHCSFYRWFC-UHFFFAOYSA-N, 3-(Methylamino)propanoic acid HCl, 5026AF, b-Alanine, N-methyl-, hydrochloride, MFCD03490507, AKOS008119064, DS-8650, AK155866, SC-27492, SC-52914, 3-(methylamino)propanoic acid;hydrochloride, EN300-51956, N-Methyl-b-alanine HCl, C4H10ClNO2, 3-(methylamino)propanoic acid, |A-alanine, N-methyl- hydrochloride, 2679-14-3,

Complexity	62.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.04g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	139.579g/mol
Monoisotopic Mass	139.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.3A^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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