ChemSpider 2D Image | (3E,5S)-5-Amino-7-methyl-3-octenoic acid | C9H17NO2

(3E,5S)-5-Amino-7-methyl-3-octenoic acid

  • Molecular FormulaC9H17NO2
  • Average mass171.237 Da
  • Monoisotopic mass171.125931 Da
  • ChemSpider ID110427052

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E,5S)-5-Amino-7-methyl-3-octenoic acid [ACD/IUPAC Name]
(3E,5S)-5-Amino-7-methyl-3-octensäure [German] [ACD/IUPAC Name]
3-Octenoic acid, 5-amino-7-methyl-, (3E,5S)- [ACD/Index Name]
Acide (3E,5S)-5-amino-7-méthyl-3-octénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 312.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.8±6.0 kJ/mol
Flash Point: 142.6±24.6 °C
Index of Refraction: 1.487
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 169.8±3.0 cm3

Click to predict properties on the Chemicalize site


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