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(S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride

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Name

(S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride

EINECS N/A
CAS No. 270065-73-1 Density 1.318
PSA 63.32000 LogP 3.55220
Solubility N/A Melting Point N/A
Formula C11H13ClF3NO2 Boiling Point 322.5 °C at 760 mmHg
Molecular Weight 283.67 Flash Point 148.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 270065-73-1 ((S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride) Hazard Symbols N/A
Synonyms

(3S)-3-Amino-4-[2-(trifluoromethyl)phenyl]butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-2-(trifluoromethyl)-, (betaS)-, hydrochloride (1:1);(S)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid-HCl;

 

(S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride Specification

The (S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride, with the CAS registry number 270065-73-1, is also known as Benzenebutanoic acid, β-amino-2-(trifluoromethyl)-, (betaS)-, hydrochloride (1:1). It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C11H13ClF3NO2 and molecular weight is 283.67. What's more, its systematic name is (3S)-3-amino-4-[2-(trifluoromethyl)phenyl]butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 29.54 Å2; (10)Flash Point: 148.9 °C; (11)Enthalpy of Vaporization: 59.58 kJ/mol; (12)Boiling Point: 322.5 °C at 760 mmHg; (13)Vapour Pressure: 0.000114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)9-4-2-1-3-7(9)5-8(15)6-10(16)17;/h1-4,8H,5-6,15H2,(H,16,17);1H/t8-;/m0./s1
(3)InChIKey: JXUKTUCRFQNQGB-QRPNPIFTSA-N

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