ChemSpider 2D Image | (2S)-2-Amino-3-methyl-1,1-butanediol | C5H13NO2

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

  • Molecular FormulaC5H13NO2
  • Average mass119.162 Da
  • Monoisotopic mass119.094627 Da
  • ChemSpider ID59051693

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-methyl-1,1-butandiol [German] [ACD/IUPAC Name]
(2S)-2-Amino-3-methyl-1,1-butanediol [ACD/IUPAC Name]
(2S)-2-Amino-3-méthyl-1,1-butanediol [French] [ACD/IUPAC Name]
1,1-Butanediol, 2-amino-3-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 257.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.5±6.0 kJ/mol
Flash Point: 109.6±21.8 °C
Index of Refraction: 1.483
Molar Refractivity: 31.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 110.9±3.0 cm3

Click to predict properties on the Chemicalize site


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