AG00ICUN

774178-39-1 | Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bR)-

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CAS Number	774178-39-1
Catalog Number	AG00ICUN(AGN-PC-0UBNHN)
Chemical Name	Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bR)-
IUPAC Name	(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
InChI Key	ABDRZHVLIRZFQO-MRVPVSSYSA-N
MDL Number	MFCD00221748
Molecular Formula	C10H10F3NO2
Molecular Weight	233.1871
SMILES	NC[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(O)=O
Synonyms	774178-39-1, (R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid, (R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, (R)-3-Amino-3-(4-(trifluoromethyl)phenyl)propanoic acid, PubChem14201, AC1LS5OS, CTK7D0971, D-BETA-PHE(4-CF3)-OH, DTXSID20363265, ACT05250, ZINC4014645, ANW-48025, CT-562, MFCD04113668, (R)--(p-Trifluoromethylphenyl)alanine, 4-Trifluoromethyl-L-beta-phenylalanine, AKOS025212364, AB17764, AS06780, AC-22064, AJ-47684, AN-27362, PS-12194, (R)-beta-(4-Trifluoromethylphenyl)alanine, AB0049441, DB-075316, ST2414467, TC-136770, FT-0659120, TL80073847, (R)-4-TRIFLUOROMETHYL-BETA-PHENYLALANINE, 178A391, I01-5215, (R)-3-Amino-3-(4-trifluoromethylphenyl)propionic acid, R-3-Amino-3-(4-trifluoromethyl -phenyl)-propionic acid, (R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propionic acid, Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bR)-, BENZENEPROPANOIC ACID, BETA-AMINO-4-(TRIFLUOROMETHYL)-, (BETAR)-, (R)-3-(p-Trifluoromethylphenyl)-beta-alanine, CID1482754, 3-amino-3-[4-(trifluoromethyl)phenyl]propanoic Acid, 790203-84-8,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	233.066g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.19g/mol
Monoisotopic Mass	233.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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

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