AG001JTH

144600-01-1 | Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1)

AG001JTH

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CAS Number	144600-01-1
Catalog Number	AG001JTH(AGN-PC-0PVU1O)
Chemical Name	Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl 2-amino-3-cyclohexylpropanoate;hydrochloride
InChI	InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H
InChI Key	YLESODBCBYZUCT-UHFFFAOYSA-N
MDL Number	MFCD00153486
Molecular Formula	C10H20ClNO2
Molecular Weight	221.7243
SMILES	O=C(OC)C(N)CC1CCCCC1.Cl
Synonyms	H-Cha-OMe.HCl, 144600-01-1, Methyl 2-amino-3-cyclohexylpropanoate hydrochloride, AK-92594, AK162696, H-Cha-OMe hydrochloride, SCHEMBL1067413, MFCD06656850, AKOS024258649, NE42613, 4CH-011735, ST24047666, Methyl 2-amino-3-cyclohexylpropanoatehydrochloride, Cyclohexanepropanoic acid, alpha-amino-, methyl ester, hydrochloride (1:1), H-D-Cha-OMe.HCl, H-Cha-OMe.Hydrochloride, (S)-Methyl 2-amino-3-cyclohexylpropanoate hydrochloride, (R)-Methyl 2-amino-3-cyclohexylpropanoate hydrochloride, 144644-00-8, beta-Cyclohexyl-D-alanine methyl ester hydrochloride, 17193-39-4,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.118g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.725g/mol
Monoisotopic Mass	221.118g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number