ChemSpider 2D Image | N-Ethyl-N-[4-(methylsulfanyl)benzyl]-L-valinamide | C15H24N2OS

N-Ethyl-N-[4-(methylsulfanyl)benzyl]-L-valinamide

  • Molecular FormulaC15H24N2OS
  • Average mass280.429 Da
  • Monoisotopic mass280.160919 Da
  • ChemSpider ID28301763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, 2-amino-N-ethyl-3-methyl-N-[[4-(methylthio)phenyl]methyl]-, (2S)- [ACD/Index Name]
N-Ethyl-N-[4-(methylsulfanyl)benzyl]-L-valinamid [German] [ACD/IUPAC Name]
N-Ethyl-N-[4-(methylsulfanyl)benzyl]-L-valinamide [ACD/IUPAC Name]
N-Éthyl-N-[4-(méthylsulfanyl)benzyl]-L-valinamide [French] [ACD/IUPAC Name]
(2S)-2-AMINO-N-ETHYL-3-METHYL-N-{[4-(METHYLSULFANYL)PHENYL]METHYL}BUTANAMIDE
(S)-2-Amino-N-ethyl-3-methyl-N-(4-(methylthio)benzyl)butanamide
(S)-2-Amino-N-ethyl-3-methyl-N-(4-methylsulfanylbenzyl)butyramide
(S)-2-Amino-N-ethyl-3-methyl-N-(4-methylsulfanyl-benzyl)-butyramide
1354007-47-8 [RN]
MFCD21097014

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 426.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.5±27.3 °C
Index of Refraction: 1.560
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 8.94
ACD/KOC (pH 7.4): 102.80
Polar Surface Area: 72 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 259.8±5.0 cm3

Click to predict properties on the Chemicalize site


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