ChemSpider 2D Image | (2S,3R)-2-Amino-3-(methylamino)butanoic acid | C5H12N2O2

(2S,3R)-2-Amino-3-(methylamino)butanoic acid

  • Molecular FormulaC5H12N2O2
  • Average mass132.161 Da
  • Monoisotopic mass132.089874 Da
  • ChemSpider ID32980614

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Amino-3-(methylamino)butanoic acid [ACD/IUPAC Name]
(2S,3R)-2-Amino-3-(methylamino)butansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-2-amino-3-(méthylamino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-3-(methylamino)-, (2S,3R)- [ACD/Index Name]
58530-90-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 269.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.9±6.0 kJ/mol
Flash Point: 116.9±24.6 °C
Index of Refraction: 1.481
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 118.9±3.0 cm3

Click to predict properties on the Chemicalize site


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