ChemSpider 2D Image | 4-[(1,1,2,2,3,3-~2~H_6_)Butyl(~2~H)amino]benzoic acid | C11H8D7NO2

4-[(1,1,2,2,3,3-2H6)Butyl(2H)amino]benzoic acid

  • Molecular FormulaC11H8D7NO2
  • Average mass200.285 Da
  • Monoisotopic mass200.154221 Da
  • ChemSpider ID34998137

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(1,1,2,2,3,3-2H6)Butyl(2H)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(1,1,2,2,3,3-2H6)Butyl(2H)amino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(1,1,2,2,3,3-2H6)butyl(2H)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(butyl-1,1,2,2,3,3-d6-amino-d)- [ACD/Index Name]
1219803-44-7 [RN]
4-(n-Butylamino-2,2,3,3,4,4,4-d7)benzoic Acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 167.6±23.2 °C
Index of Refraction: 1.578
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 21.51
ACD/KOC (pH 5.5): 192.94
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 49 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 170.9±3.0 cm3

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