ChemSpider 2D Image | 1-(6-Chloro-1,3-benzodioxol-5-yl)-2-propanamine | C10H12ClNO2

1-(6-Chloro-1,3-benzodioxol-5-yl)-2-propanamine

  • Molecular FormulaC10H12ClNO2
  • Average mass213.661 Da
  • Monoisotopic mass213.055649 Da
  • ChemSpider ID26472460

More details:






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

1-(6-Chlor-1,3-benzodioxol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(6-Chloro-1,3-benzodioxol-5-yl)-2-propanamine [ACD/IUPAC Name]
1-(6-Chloro-1,3-benzodioxol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, 6-chloro-α-methyl- [ACD/Index Name]
46319-44-2 [RN]
MFCD08453670

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 315.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 144.4±27.9 °C
Index of Refraction: 1.577
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.30
Polar Surface Area: 44 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 165.9±3.0 cm3

Click to predict properties on the Chemicalize site






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