191426-23-0
(S)-METHYL 2-AMINO-3-(4'-(TRIFLUOROMETHYL)BIPHENYL-4-YL)PROPANOATE HYDROCHLORIDE
Name(S)-METHYL 2-AMINO-3-(4'-(TRIFLUOROMETHYL)BIPHENYL-4-YL)PROPANOATE HYDROCHLORIDE
FormulaC17 H16 F3 N O2 . Cl H
1Identification
【Name】
(S)-METHYL 2-AMINO-3-(4'-(TRIFLUOROMETHYL)BIPHENYL-4-YL)PROPANOATE HYDROCHLORIDE
【CAS】
【MDL】
MFCD09787483
【English Synonyms】
【Formula】
C17 H16 F3 N O2 . Cl H
【MolWeight】
359.773
【Inchi】
InChI=1S/C17H16F3NO2.ClH/c1-23-16(22)15(21)10-11-2-4-12(5-3-11)13-6-8-14(9-7-13)17(18,19)20;/h2-9,15H,10,21H2,1H3;1H/t15-;/m0./s1
【InChIKey】
InChIKey=HRJQWRTUPVHRBT-RSAXXLAASA-N
【SMILES】
COC(=O)[C@H](Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)N.Cl
【MOL File】
(S)-METHYL 2-AMINO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-METHYL 2-AMINO-3-(4'-(TRIFLUOROMETHYL)BIPHENYL-4-YL)PROPANOATE HYDROCHLORIDE.cml