AG001ADL

1391439-19-2 | (S)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride

AG001ADL

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CAS Number	1391439-19-2
Catalog Number	AG001ADL(AGN-PC-0WAMJ7)
Chemical Name	(S)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride
IUPAC Name	methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
InChI	InChI=1S/C10H13NO2.ClH/c1-7(11)8-4-3-5-9(6-8)10(12)13-2;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1
InChI Key	PMFQSOTUHJSZHY-FJXQXJEOSA-N
MDL Number	MFCD12910779
Molecular Formula	C10H14ClNO2
Molecular Weight	215.6767
SMILES	O=C(OC)C1=CC=CC([C@@H](N)C)=C1.[H]Cl
Synonyms	1391439-19-2, (S)-Methyl 3-(1-aminoethyl)benzoate hydrochloride, (S)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride, KS-00000LEM, MFCD12910779, AKOS027338528, DS-12196, (S)-Methyl 3-(1-aminoethyl)benzoate HCl, Z-6874, methyl (S)-3-(1-aminoethyl)benzoate hydrochloride, methyl 3-[(1S)-1-aminoethyl]benzoate hydrochloride, (S)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride, AldrichCPR, Benzoic acid, 3-[(1S)-1-aminoethyl]-, methyl ester, hydrochloride (1:1),

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	215.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.677g/mol
Monoisotopic Mass	215.071g/mol
Rotatable Bond Count	3
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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