ChemSpider 2D Image | (3S)-3-Amino-4-methylhexanoic acid | C7H15NO2

(3S)-3-Amino-4-methylhexanoic acid

  • Molecular FormulaC7H15NO2
  • Average mass145.199 Da
  • Monoisotopic mass145.110275 Da
  • ChemSpider ID50093210

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-Amino-4-methylhexanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-4-methylhexansäure [German] [ACD/IUPAC Name]
1151863-10-3 [RN]
Acide (3S)-3-amino-4-méthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-amino-4-methyl-, (3S)- [ACD/Index 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: 249.1±23.0 °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: 104.5±22.6 °C
Index of Refraction: 1.464
Molar Refractivity: 39.5±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): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 143.1±3.0 cm3

Click to predict properties on the Chemicalize site


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