AG001WPW

1664-54-6 | Benzenepropanoic acid, 3-amino-

AG001WPW

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CAS Number	1664-54-6
Catalog Number	AG001WPW(AGN-PC-0KK72W)
Chemical Name	Benzenepropanoic acid, 3-amino-
IUPAC Name	3-(3-aminophenyl)propanoic acid
InChI	InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
InChI Key	SBHFVSXLYOBZKD-UHFFFAOYSA-N
MDL Number	MFCD00153889
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(O)CCC1=CC=CC(N)=C1
Synonyms	3-amino-3-phenylpropionic acid, 3A3PPA, N-acetyl-3-amino-3-phenylpropionic acid, 3-(3-aminophenyl)propanoic acid, 1664-54-6, 3-(3-Aminophenyl)propionic acid, Benzenepropanoic acid, 3-amino-, 3-aminophenylpropanoicacid, 3-aminophenylpropanoic acid, beta-(3-aminophenyl)propionic acid, 3-(3-amino-phenyl)-propionic acid, MFCD00153889, ChemDiv2_001856, 3-(3'-aminophenyl)-propionic acid, m-Aminohydrozimtsaure, ACMC-20anl4, m-aminohydrocinnamic acid, 3-aminobenzenepropanoicacid, 3-(2-Carboxyethyl)aniline, 3-aminobenzenepropanoic acid, AC1MC38S, 3-amino dihydrocinnamic acid, 3-amine benzyl propionic acid, 3-amino dihydro cinnamic acid, SCHEMBL360723, 3-(m-aminophenyl)propionic acid, CTK3J4742, KS-00000IYO, SBHFVSXLYOBZKD-UHFFFAOYSA-N, HMS1374E08, ALBB-014710, ZINC2530711, SBB028355, AKOS001699764, CS-W005084, MCULE-4812854870, PS-6140, RTC-066378, AC-12284, AJ-38497, AK-33600, AN-49638, BC204347, L479, ST092345, AB0001043, DB-021620, TC-066378, FT-0084129, FT-0613608, ST24028282, 3-(3-Aminophenyl)propionic acid, AldrichCPR, 664A546, AE-562/43460511, I01-0634, 3-aminophenylpropanoic acid / 3-(3-aminophenyl)propionic acid, 3A3PPA, C9H11NO2, 3-Amino-3-phenylpropionic acid, C9-H11-N-O2, ACN-031387, CID2735406, B-2154,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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