AG000KWP

1236353-78-8 | Benzoic acid, 3-[(1R)-1-aminoethyl]-, methyl ester, hydrochloride (1:1)

AG000KWP

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CAS Number	1236353-78-8
Catalog Number	AG000KWP(AGN-PC-0WAMJ9)
Chemical Name	Benzoic acid, 3-[(1R)-1-aminoethyl]-, methyl ester, hydrochloride (1:1)
IUPAC Name	methyl 3-[(1R)-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-;/m1./s1
InChI Key	PMFQSOTUHJSZHY-OGFXRTJISA-N
MDL Number	MFCD12910778
Molecular Formula	C10H14ClNO2
Molecular Weight	215.6767
SMILES	O=C(OC)C1=CC=CC([C@H](N)C)=C1.[H]Cl
Synonyms	1236353-78-8, (R)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride, (R)-Methyl 3-(1-aminoethyl)benzoate hydrochloride, KS-00000LEU, 8981AH, MFCD12910778, AKOS027338581, DS-12207, (R)-Methyl 3-(1-aminoethyl)benzoate HCl, Z-6875, methyl (R)-3-(1-aminoethyl)benzoate hydrochloride, methyl 3-[(1R)-1-aminoethyl]benzoate hydrochloride, (R)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride, AldrichCPR, Benzoic acid, 3-[(1R)-1-aminoethyl]-, methyl ester, hydrochloride (1:1), C10H13NO2.HCl, 1187930-21-7,

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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