ChemSpider 2D Image | 1-[(2,2-~2~H_2_)-1,3-Benzodioxol-5-yl]methanamine | C8H7D2NO2

1-[(2,2-2H2)-1,3-Benzodioxol-5-yl]methanamine

  • Molecular FormulaC8H7D2NO2
  • Average mass153.175 Da
  • Monoisotopic mass153.075882 Da
  • ChemSpider ID65381788

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzodioxole-2,2-d2-5-methanamine [ACD/Index Name]
1-[(2,2-2H2)-1,3-Benzodioxol-5-yl]methanamin [German] [ACD/IUPAC Name]
1-[(2,2-2H2)-1,3-Benzodioxol-5-yl]methanamine [ACD/IUPAC Name]
1-[(2,2-2H2)-1,3-Benzodioxol-5-yl]méthanamine [French] [ACD/IUPAC Name]
[(2,2-2H2)-2H-1,3-benzodioxol-5-yl]methanamine
1-[(2,2-2H2)-1,3-dioxaindan-5-yl]methanamine
2138538-56-2 [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: 267.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 120.9±26.0 °C
Index of Refraction: 1.593
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 44 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 120.6±3.0 cm3

Click to predict properties on the Chemicalize site


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