AG01DU7S

2216747-15-6 | 4-((1S)-1-aminoethyl)-2-methoxybenzoic acid hydrochloride

AG01DU7S

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CAS Number	2216747-15-6
Catalog Number	AG01DU7S
Chemical Name	4-((1S)-1-aminoethyl)-2-methoxybenzoic acid hydrochloride
IUPAC Name	4-(1-aminoethyl)-2-methoxybenzoic acid;hydrochloride
InChI	InChI=1S/C10H13NO3.ClH/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2;/h3-6H,11H2,1-2H3,(H,12,13);1H
InChI Key	UGKRDVLGBIQASK-UHFFFAOYSA-N
MDL Number	MFCD31698256
Molecular Formula	C10H14ClNO3
Molecular Weight	231.6761
SMILES	O=C(O)C1=CC=C([C@@H](N)C)C=C1OC.[H]Cl
Synonyms	(S)-4-(1-Aminoethyl)-2-methoxybenzoic acid hydrochloride, 2216747-15-6, SCHEMBL12499283, AK00739498,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
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	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	1
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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