AG000E7W

117391-50-1 | Benzenepropanoic acid, β-amino-3-bromo-

AG000E7W

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CAS Number	117391-50-1
Catalog Number	AG000E7W(AGN-PC-0JTMWI)
Chemical Name	Benzenepropanoic acid, β-amino-3-bromo-
IUPAC Name	3-amino-3-(3-bromophenyl)propanoic acid
InChI	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key	RLYAXKJHJUXZOT-UHFFFAOYSA-N
MDL Number	MFCD00995843
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	NC(CC(=O)O)C1=CC(=CC=C1)Br
Synonyms	117391-50-1, 3-amino-3-(3-bromophenyl)propanoic acid, dl-3-amino-3-(3-bromophenyl)propionic acid, dl-beta-(3-bromophenyl)alanine, 3-Amino-3-(3-bromo-phenyl)-propionic acid, 3-Amino-3-(3-bromophenyl)propionic acid, dl-3-amino-3-(3-bromo-phenyl)-propionic acid, 3-(3-Bromophenyl)-beta-alanine, 3-(3-bromophenyl)-dl-beta-alanine, 3-amino-3-(3-bromo-phenyl)propionic acid, RLYAXKJHJUXZOT-UHFFFAOYSA-N, BENZENEPROPANOIC ACID, BETA-AMINO-3-BROMO-, RARECHEM AK HC T307, CBMicro_008351, S-3-Amino-3-(3-bromo-phenyl)-propionic acid, PubChem14762, ACMC-1CQ3Q, AC1LCO00, Oprea1_639320, Oprea1_737184, KSC510E4P, SCHEMBL825322, DL- -(3-Bromophenyl)alanine, DL-?-(3-Bromophenyl)alanine, AC1Q508G, CTK4B0247, ACT04399, ALBB-006681, SMSF0009707, 3-(3-Bromophenyl)-beta-alanine #, BBL022136, MFCD00995843, SBB099794, STK501140, AKOS000122935, AKOS016043250, AB07928, AN-9732, Benzenepropanoic acid,b-amino-3-bromo-, CB-3192, MCULE-2130613813, RP13925, RTC-071067, Benzenepropanoic acid, b-amino-3-bromo-, AC-23772, AK-44480, AN-32918, BC003928, SC-62655, SY014212, BIM-0008505.P001, AB0034961, DB-012358, ST2419260, TR-036334, A2422, BB 0249694, FT-0687321, TL80073818, X9205, EN300-04944, MFCD00995843 (97%), K-1200, 3-Amino-3-(3-bromophenyl)propionic acid, 97%, 7R-0609, SR-01000516772, J-511565, SR-01000516772-1, Z56899123, C9H10BrNO2, (S)-beta-(3-Bromophenyl)alanine, CID603619, CB10941, 275826-35-2, (S)-3-Amino-3-(3-bromophenyl)propanoic acid, 3-amino-3-(3-chlorophenyl)propanoic acid, A2535, (s)-2-amino-3-(3-bromophenyl)propanoic acid, (s)-3-amino-3-(3-bromophenyl)propionic acid, (R)-3-Amino-3-(3-bromophenyl)propanoic acid, R-3-Amino-3-(3-bromo-phenyl)-propionic acid, 788153-27-5,

Complexity	187
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	-1.3

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