ChemSpider 2D Image | (2S,4S)-2-Amino-4-methyl-5-hexenoic acid | C7H13NO2

(2S,4S)-2-Amino-4-methyl-5-hexenoic acid

  • Molecular FormulaC7H13NO2
  • Average mass143.184 Da
  • Monoisotopic mass143.094635 Da
  • ChemSpider ID32980597
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,4S)-2-Amino-4-methyl-5-hexenoic acid [ACD/IUPAC Name]
(2S,4S)-2-Amino-4-methyl-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 2-amino-4-methyl-, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-2-amino-4-méthyl-5-hexénoïque [French] [ACD/IUPAC Name]
78086-86-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 249.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 104.8±24.0 °C
Index of Refraction: 1.479
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 138.2±3.0 cm3

Click to predict properties on the Chemicalize site






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