ChemSpider 2D Image | 2-Amino-3-(~2~H_3_)methylbenzoic acid | C8H6D3NO2

2-Amino-3-(2H3)methylbenzoic acid

  • Molecular FormulaC8H6D3NO2
  • Average mass154.181 Da
  • Monoisotopic mass154.082153 Da
  • ChemSpider ID107437208

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-3-(2H3)methylbenzoesäure [German] [ACD/IUPAC Name]
2-Amino-3-(2H3)methylbenzoic acid [ACD/IUPAC Name]
Acide 2-amino-3-(2H3)méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-3-(methyl-d3)- [ACD/Index Name]
92503-45-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 315.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 144.4±24.6 °C
Index of Refraction: 1.618
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 34.55
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 120.5±3.0 cm3

Click to predict properties on the Chemicalize site


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