AG000PA0

1196049-17-8 | Methyl 4-((1r)-1-amino-2-hydroxyethyl)benzoate hcl

AG000PA0

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CAS Number	1196049-17-8
Catalog Number	AG000PA0(AGN-PC-0WAMJ5)
Chemical Name	Methyl 4-((1r)-1-amino-2-hydroxyethyl)benzoate hcl
IUPAC Name	methyl 4-[(1R)-1-amino-2-hydroxyethyl]benzoate;hydrochloride
InChI	InChI=1S/C10H13NO3.ClH/c1-14-10(13)8-4-2-7(3-5-8)9(11)6-12;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1
InChI Key	OBDORQAVVCZMAL-FVGYRXGTSA-N
MDL Number	MFCD12910852
Molecular Formula	C10H14ClNO3
Molecular Weight	231.6761
SMILES	O=C(OC)C1=CC=C([C@@H](N)CO)C=C1.[H]Cl
Synonyms	1196049-17-8, METHYL 4-((1R)-1-AMINO-2-HYDROXYETHYL)BENZOATE HCl, (R)-Methyl 4-(1-amino-2-hydroxyethyl)benzoate hydrochloride, KS-00000LEK, KS-000026EO, MFCD12910852, AKOS027338523, GS-7242, Z-8003, Methyl 4-((1R)-1-amino-2-hydroxyethyl)benzoateHCl, methyl 4-[(1R)-1-amino-2-hydroxyethyl]benzoate hydrochloride, Benzoic acid, 4-[(1R)-1-amino-2-hydroxyethyl]-, methyl ester, hydrochloride (1:1), 1213380-39-2,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	231.066g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	231.676g/mol
Monoisotopic Mass	231.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^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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