ChemSpider 2D Image | 4-[(~2~H_3_)Methylamino]benzoic acid | C8H6D3NO2

4-[(2H3)Methylamino]benzoic acid

  • Molecular FormulaC8H6D3NO2
  • Average mass154.181 Da
  • Monoisotopic mass154.082153 Da
  • ChemSpider ID107434151

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H3)Methylamino]benzoesäure [German] [ACD/IUPAC Name]
4-[(2H3)Methylamino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2H3)méthylamino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methyl-d3-amino)- [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: 321.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 148.3±23.2 °C
Index of Refraction: 1.623
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 36.65
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 121.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement