ChemSpider 2D Image | 4-[(~2~H_3_)Methyloxy]aniline | C7H6D3NO

4-[(2H3)Methyloxy]aniline

  • Molecular FormulaC7H6D3NO
  • Average mass126.171 Da
  • Monoisotopic mass126.087242 Da
  • ChemSpider ID53602117

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H3)Methyloxy]anilin [German] [ACD/IUPAC Name]
4-[(2H3)Methyloxy]aniline [ACD/IUPAC Name]
4-[(2H3)Méthyloxy]aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-(methyl-d3-oxy)- [ACD/Index Name]
180626-23-7 [RN]
4-(2H3)methoxyaniline
4-(Methoxy-d3)-aniline

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

Density: 1.1±0.1 g/cm3
Boiling Point: 246.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 104.5±13.1 °C
Index of Refraction: 1.555
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 51.63
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 77.29
Polar Surface Area: 35 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 115.7±3.0 cm3

Click to predict properties on the Chemicalize site


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