AG00FAJO

682803-14-1 | 2-Aminomethyl-3-(4-methoxy-phenyl)-propionic acid

AG00FAJO

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CAS Number	682803-14-1
Catalog Number	AG00FAJO(AGN-PC-04FRVD)
Chemical Name	2-Aminomethyl-3-(4-methoxy-phenyl)-propionic acid
IUPAC Name	2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
InChI	InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)
InChI Key	DFKAWZDMKJDTFC-UHFFFAOYSA-N
MDL Number	MFCD03002395
Molecular Formula	C11H15NO3
Molecular Weight	209.2417
SMILES	O=C(O)C(CN)CC1=CC=C(OC)C=C1
Synonyms	2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid, 682803-14-1, 2-Aminomethyl-3-(4-methoxyphenyl)propionic acid, 3-amino-2-(4-methoxybenzyl)propanoic acid, 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid, CTK5C7662, DTXSID20640588, MFCD03002395, AKOS009271360, AB12912, AS-35925, AB0073952, AX8070830, RT-007386, J3.630.746C, X-1559, 2-aminomethyl-3-(4-methoxyphenyl)Propanoic acid, 2-(Aminomethyl)-3-(4-methoxyphenyl)propanoic acid, 3-amino-2-[(4-methoxyphenyl)methyl]propanoic acid, 2-AMINOMETHYL-3-(4-METHOXY-PHENYL)-PROPANOIC ACID,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.105g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.245g/mol
Monoisotopic Mass	209.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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