AG003IUT

39773-47-2 | 3-Amino-3-(4-bromophenyl)propionic acid

AG003IUT

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CAS Number	39773-47-2
Catalog Number	AG003IUT(AGN-PC-0JSSNL)
Chemical Name	3-Amino-3-(4-bromophenyl)propionic acid
IUPAC Name	3-amino-3-(4-bromophenyl)propanoic acid
InChI	InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key	RBOUYDUXPMAYMJ-UHFFFAOYSA-N
MDL Number	MFCD00048245
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(O)CC(N)C1=CC=C(Br)C=C1
Synonyms	3-amino-3-(4-bromophenyl)propanoic acid, 39773-47-2, 3-amino-3-(4-bromophenyl)propionic acid, 3-(p-bromophenyl)-dl-beta-alanine, 3-Amino-3-(4-bromo-phenyl)-propionic acid, 295356-30-8, dl-3-amino-3-(4-bromophenyl)propionic acid, RBOUYDUXPMAYMJ-UHFFFAOYSA-N, 3-amino-3-(4-bromophenyl)-propionic acid, MLS000583412, R-3-Amino-3-(4-bromo-phenyl)-propionic acid, SMR000187155, ZERO/001611, beta-Amino-4-bromo-benzenepropanoic acid, AC1LB9S4, Oprea1_104813, Oprea1_669385, DL- -(p-Bromophenyl)alanine, KSC496Q1J, SCHEMBL390666, dl-beta-(p-bromophenyl)alanine, AC1Q262J, AC1Q508L, beta-4-bromophenyl-beta-alanine, CHEMBL1621766, BDBM53789, cid_2868513, CTK3J6814, KS-00001YRH, ACT09669, ALBB-006624, KS-00000AP5, 3-(4-Bromophenyl)-beta-alanine #, b-amino-4-bromobenzenepropanoic acid, MFCD00187112, SBB000836, STK501141, AKOS000192133, AKOS016050864, AB04471, AN-9783, beta-Amino-4-bromobenzenepropanoic acid, CA-1045, DL-BETA-(4-BROMOPHENYL)ALANINE, MCULE-4957228775, RP13926, RTR-059184, TRA0054332, 3-Amino-3-(4-bromophenyl)propionicAcid, AC-23540, AK-44663, BR-44663, SC-49308, ST026502, SY013390, AB0030503, DB-012591, DB-049480, TR-059184, 4CH-011067, 4CH-024315, A5333, AM20060616, BB 0249695, FT-0630328, FT-0765407, ST24022655, TL80073825, X2701, (-)-beta-Amino-4-bromo-benzenepropanoic acid, dl-3-amino-3-(4-bromo-phenyl)-propionic acid, S-2872, AB00096907-01, MFCD00187112 (97+%), 6R-0633, 773A472, I01-7593, 3-amino-3-(4-bromophenyl)propanoic acid;hydrochloride, 3-amino-3-(4-bromophenyl)propionic acid;hydrochloride, 3-azanyl-3-(4-bromophenyl)propanoic acid;hydrochloride, Z1741967387, C9H10BrNO2, (S)-beta-(p-bromophenyl)alanine, (S)-3-Amino-3-(4-bromophenyl)propanoic acid, AR-1F1747, CID554034, (r)-3-(p-bromophenyl)-beta-alanine, (r)-3-amino-3-(4-bromophenyl)propanoic acid, 3-amino-3-(4-chlorophenyl)propanoic acid, (s)-2-amino-3-(4-bromophenyl)propanoic acid, S-3-Amino-3-(4-bromo-phenyl)-propionic acid, 275826-36-3, 3-amino-3-(4-bromophenyl)propanoic acid hydrochloride, Benzenepropanoic acid, .beta.-amino-4-bromo-, (-)-, 479074-63-0, 40074-04-2,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number