ChemSpider 2D Image | (2S,3S)-2-Amino-3-methyl-1,1-pentanediol | C6H15NO2

(2S,3S)-2-Amino-3-methyl-1,1-pentanediol

  • Molecular FormulaC6H15NO2
  • Average mass133.189 Da
  • Monoisotopic mass133.110275 Da
  • ChemSpider ID26326993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Amino-3-methyl-1,1-pentandiol [German] [ACD/IUPAC Name]
(2S,3S)-2-Amino-3-methyl-1,1-pentanediol [ACD/IUPAC Name]
(2S,3S)-2-Amino-3-méthyl-1,1-pentanediol [French] [ACD/IUPAC Name]
(2S,3S)-2-amino-3-methylpentane-1,1-diol
1,1-Pentanediol, 2-amino-3-methyl-, (2S,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: 270.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.1±6.0 kJ/mol
Flash Point: 117.6±21.8 °C
Index of Refraction: 1.482
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 127.4±3.0 cm3

Click to predict properties on the Chemicalize site


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