ChemSpider 2D Image | 4-{Bis[(~2~H_3_)methyl]amino}benzoic acid | C9H5D6NO2

4-{Bis[(2H3)methyl]amino}benzoic acid

  • Molecular FormulaC9H5D6NO2
  • Average mass171.226 Da
  • Monoisotopic mass171.116638 Da
  • ChemSpider ID107435608

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{Bis[(2H3)methyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{Bis[(2H3)methyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{bis[(2H3)méthyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(dimethyl-d3-amino)- [ACD/Index Name]
1175002-09-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 144.8±23.2 °C
Index of Refraction: 1.594
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 64.18
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 41 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 140.0±3.0 cm3

Click to predict properties on the Chemicalize site


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