ChemSpider 2D Image | (4-{[(3,5-Dimethylbenzyl)amino](~2~H_1_)methyl}phenyl)(~2~H_2_)methanol | C17H18D3NO

(4-{[(3,5-Dimethylbenzyl)amino](2H1)methyl}phenyl)(2H2)methanol

  • Molecular FormulaC17H18D3NO
  • Average mass258.373 Da
  • Monoisotopic mass258.181152 Da
  • ChemSpider ID9703790

  • Non-standard isotope - Non-standard isotope

More details:

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

(4-{[(3,5-Dimethylbenzyl)amino](2H1)methyl}phenyl)(2H2)methanol [ACD/IUPAC Name]
(4-{[(3,5-Dimethylbenzyl)amino](2H1)methyl}phenyl)(2H2)methanol [German] [ACD/IUPAC Name]
(4-{[(3,5-Diméthylbenzyl)amino](2H1)méthyl}phényl)(2H2)méthanol [French] [ACD/IUPAC Name]
Benzenemethan-d2-ol, 4-[[[(3,5-dimethylphenyl)methyl]amino]methyl-d]- [ACD/Index 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: 408.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 118.3±18.0 °C
Index of Refraction: 1.587
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 67.08
Polar Surface Area: 32 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

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