ChemSpider 2D Image | 2-Amino-1,3-(1,1,3,3-~2~H_4_)propanediol | C3H5D4NO2

2-Amino-1,3-(1,1,3,3-2H4)propanediol

  • Molecular FormulaC3H5D4NO2
  • Average mass95.134 Da
  • Monoisotopic mass95.088432 Da
  • ChemSpider ID107433453

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propane-1,1,3,3-d4-diol, 2-amino- [ACD/Index Name]
2-Amino-1,3-(1,1,3,3-2H4)propandiol [German] [ACD/IUPAC Name]
2-Amino-1,3-(1,1,3,3-2H4)propanediol [ACD/IUPAC Name]
2-Amino-1,3-(1,1,3,3-2H4)propanediol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 266.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.6±6.0 kJ/mol
Flash Point: 115.1±21.8 °C
Index of Refraction: 1.496
Molar Refractivity: 22.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 77.1±3.0 cm3

Click to predict properties on the Chemicalize site


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