ChemSpider 2D Image | (~2~H_3_)Methyl 3-amino(~2~H_4_)benzoate | C8H2D7NO2

(2H3)Methyl 3-amino(2H4)benzoate

  • Molecular FormulaC8H2D7NO2
  • Average mass158.206 Da
  • Monoisotopic mass158.107269 Da
  • ChemSpider ID111329967

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 3-amino(2H4)benzoate [ACD/IUPAC Name]
(2H3)Methyl-3-amino(2H4)benzoat [German] [ACD/IUPAC Name]
3-Amino(2H4)benzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-amino-, methyl-d3 ester [ACD/Index 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: 281.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 140.4±17.4 °C
Index of Refraction: 1.566
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.63
ACD/KOC (pH 5.5): 134.45
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.69
ACD/KOC (pH 7.4): 135.62
Polar Surface Area: 52 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 129.6±3.0 cm3

Click to predict properties on the Chemicalize site


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