AG003IUQ

68208-20-8 | 3-Amino-3-(2-chlorophenyl)propanoic acid

AG003IUQ

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CAS Number	68208-20-8
Catalog Number	AG003IUQ(AGN-PC-0TRPKW)
Chemical Name	3-Amino-3-(2-chlorophenyl)propanoic acid
IUPAC Name	3-amino-3-(2-chlorophenyl)propanoic acid
InChI	InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key	NXXFYRJVRISCCP-UHFFFAOYSA-N
MDL Number	MFCD01871299
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
NSC Number	45727
SMILES	O=C(O)CC(N)C1=CC=CC=C1Cl
Synonyms	3-amino-3-(2-chlorophenyl)propanoic acid, 68208-20-8, 3-Amino-3-(2-chloro-phenyl)-propionic acid, 3-(2-chlorophenyl)-DL-beta-alanine, 3-Amino-3-(2-chlorophenyl)propionic acid, NXXFYRJVRISCCP-UHFFFAOYSA-N, MFCD01871299, DL-beta-(2-chlorophenyl)alanine, NSC45727, PubChem13916, AC1Q3P9E, Oprea1_473276, ACMC-209p38, AC1L642Q, SCHEMBL1309481, CTK2F7974, KS-00001YRD, DTXSID20286425, ACT05016, ALBB-006688, BBL013281, NSC-45727, SBB042795, STK504064, AKOS000116442, AKOS016040182, AB10448, CC-1183, MCULE-9668686300, RP11692, AC-24593, AK111341, AN-38138, SC-45626, 3-Amino-3-(2-chloro-phenyl)propionic acid, AB0020967, TR-022825, 4CH-013739, 4CH-024489, FT-0614941, ST50136837, TL80073790, V2059, Benzenepropanoic acid, .beta.-amino-2-chloro-, X-3779, 208A208, 6R-0624, (r/s)-3-amino-3-(2-chloro-phenyl)-propionic acid, I04-5520, J-511561, Z56854346, C9H10ClNO2, dl-beta-(p-chlorophenyl)alanine, 3-AMINO-3- -PROPIONICACID, (r)-3-amino-3-(2-chlorophenyl)propanoic acid, (s)-3-amino-3-(2-chlorophenyl)propanoic acid, AR-1F1742, CID239929, ACN-001808, 3-Amino-3-(2-chlorophenyl)propanoicacid, A4367, (S)-2-amino-3-(4-chlorophenyl)propanoic acid, (s)-3-amino-3-(2-chloro-phenyl)-propionic acid, 763922-37-8, 740794-79-0, 3-Amino-3-(2-chlorophenyl)propionic acid, 97% - 1G 1g, 19947-39-8, 79416-52-7,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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

Lot Number