ChemSpider 2D Image | Methyl 3-amino-4-(~2~H_3_)methyl(~2~H_3_)benzoate | C9H5D6NO2

Methyl 3-amino-4-(2H3)methyl(2H3)benzoate

  • Molecular FormulaC9H5D6NO2
  • Average mass171.226 Da
  • Monoisotopic mass171.116638 Da
  • ChemSpider ID107437844

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Amino-4-(2H3)méthyl(2H3)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,6-d3 acid, 5-amino-4-(methyl-d3)-, methyl ester [ACD/Index Name]
Methyl 3-amino-4-(2H3)methyl(2H3)benzoate [ACD/IUPAC Name]
Methyl-3-amino-4-(2H3)methyl(2H3)benzoat [German] [ACD/IUPAC 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: 296.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 152.5±19.3 °C
Index of Refraction: 1.559
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 168.10
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.11
ACD/KOC (pH 7.4): 169.15
Polar Surface Area: 52 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 145.9±3.0 cm3

Click to predict properties on the Chemicalize site


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