Product Name

  • Name

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

  • EINECS
  • CAS No. 270065-79-7
  • Density 1.318
  • Solubility
  • Melting Point
  • Formula C11H13ClF3NO2
  • Boiling Point 334 °C at 760 mmHg
  • Molecular Weight 247.217
  • Flash Point 155.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 270065-79-7 ((S)-3-Amino-4-(4-trifluoromethylphenyl)butanoic acid hydrochloride)
  • Hazard Symbols
  • Synonyms (3S)-3-Amino-4-[4-(trifluoromethyl)phenyl]butanoic acid hydrochloride;(3S)-3-Amino-4-[4-(trifluoromethyl)phenyl]butanoic acid hydrochloride (1:1);Benzenebutanoic acid, β-amino-4-(trifluoromethyl)-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid-HCl;TL8002169;
  • PSA 63.32000
  • LogP 3.55220

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

The (S)-3-Amino-4-(4-trifluoromethylphenyl)butanoic acid hydrochloride, with the CAS registry number 270065-79-7, is also known as Benzenebutanoic acid, β-amino-4-(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-[4-(trifluoromethyl)phenyl]butanoic acid hydrochloride.

Physical properties of (S)-3-Amino-4-(4-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: 155.8 °C; (11)Enthalpy of Vaporization: 60.89 kJ/mol; (12)Boiling Point: 334 °C at 760 mmHg; (13)Vapour Pressure: 5.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)8-3-1-7(2-4-8)5-9(15)6-10(16)17;/h1-4,9H,5-6,15H2,(H,16,17);1H/t9-;/m0./s1
(3)InChIKey: AAAGEGKCWDZYHR-FVGYRXGTSA-N

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