AG008N6D

790203-84-8 | (S)-3-Amino-3-(4-trifluoromethylphenyl)propionic acid

AG008N6D

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CAS Number	790203-84-8
Catalog Number	AG008N6D(AGN-PC-0UE20G)
Chemical Name	(S)-3-Amino-3-(4-trifluoromethylphenyl)propionic acid
IUPAC Name	(3S)-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-/m0/s1
InChI Key	ABDRZHVLIRZFQO-QMMMGPOBSA-N
MDL Number	MFCD04113700
Molecular Formula	C10H10F3NO2
Molecular Weight	233.1871
SMILES	O=C(O)C[C@H](N)C1=CC=C(C(F)(F)F)C=C1
Synonyms	790203-84-8, (s)-3-(p-trifluoromethylphenyl)-beta-alanine, (s)-3-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid, (s)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, (s)-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid, (s)-3-amino-3-(4-trifluoromethylphenyl)propionic acid, (S)-beta-(4-Trifluoromethylphenyl)alanine, PubChem15099, AC1LS5OV, h-beta-phe(4-cf3)-oh, h-d-phg(4-cf3)-(c*ch2)oh, CTK5E6342, DTXSID80363266, ZINC4014646, 2355AC, CT-564, MFCD04113700, AKOS010394517, AB17831, AC-22063, AJ-47685, AN-27401, AS-38518, AB0049470, AX8034956, FT-0773913, TL80073848, A13013, X-2584, 203A848, S-3-Amino-3-(4-trifluoromethyl -phenyl)-propionic acid, s-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid, (s)-3-amino-3-(4-trifluoromethyl-phenyl)-propanoic acid, Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bS)-, C10H10F3NO2, (S)-beta-(p-Trifluoromethylphenyl)alanine, CB11473, CID1482755, (S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid, 3-amino-3-[4-(trifluoromethyl)phenyl]propanoic Acid, (S)-3-Amino-3-(4-(trifluoromethyl)phenyl)propanoicacid, (S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid, Benzenepropanoic acid, ss-amino-4-(trifluoromethyl)-, (ssS)-, 755749-11-2,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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