ChemSpider 2D Image | (3S)-3-amino-1-hydroxy-5-methylhexan-2-one | C7H15NO2

(3S)-3-amino-1-hydroxy-5-methylhexan-2-one

  • Molecular FormulaC7H15NO2
  • Average mass145.199 Da
  • Monoisotopic mass145.110275 Da
  • ChemSpider ID26374617

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
(3S)-3-Amino-1-hydroxy-5-methyl-2-hexanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-hydroxy-5-methyl-2-hexanone [ACD/IUPAC Name]
(3S)-3-Amino-1-hydroxy-5-méthyl-2-hexanone [French] [ACD/IUPAC Name]
1315055-02-7 [RN]
2-Hexanone, 3-amino-1-hydroxy-5-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: 231.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.4±6.0 kJ/mol
Flash Point: 93.6±21.8 °C
Index of Refraction: 1.464
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.89
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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