ChemSpider 2D Image | N-Cyclopropyl-N-[3-(trifluoromethyl)benzyl]alaninamide | C14H17F3N2O

N-Cyclopropyl-N-[3-(trifluoromethyl)benzyl]alaninamide

  • Molecular FormulaC14H17F3N2O
  • Average mass286.293 Da
  • Monoisotopic mass286.129303 Da
  • ChemSpider ID28301928

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-Cyclopropyl-N-[3-(trifluormethyl)benzyl]alaninamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N-[3-(trifluoromethyl)benzyl]alaninamide [ACD/IUPAC Name]
N-Cyclopropyl-N-[3-(trifluorométhyl)benzyl]alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]-, (2S)- [ACD/Index Name]
(2S)-2-AMINO-N-CYCLOPROPYL-N-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}PROPANAMIDE
(S)-2-Amino-N-cyclopropyl-N-(3-(trifluoromethyl)benzyl)propanamide
(S)-2-Amino-N-cyclopropyl-N-(3-trifluoromethylbenzyl)propanamide
(S)-2-Amino-N-cyclopropyl-N-(3-trifluoromethyl-benzyl)-propionamide
(S)-2-Amino-N-cyclopropyl-N-(3-trifluoromethylphenyl)-propionamide
1354002-08-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 372.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 179.0±27.9 °C
Index of Refraction: 1.528
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 19.52
Polar Surface Area: 46 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 226.4±5.0 cm3

Click to predict properties on the Chemicalize site


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