ChemSpider 2D Image | 2-(6-Chloro-1,3-benzodioxol-5-yl)ethanamine | C9H10ClNO2

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

  • Molecular FormulaC9H10ClNO2
  • Average mass199.634 Da
  • Monoisotopic mass199.040009 Da
  • ChemSpider ID25529920

More details:






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

1,3-Benzodioxole-5-ethanamine, 6-chloro- [ACD/Index Name]
2-(6-Chlor-1,3-benzodioxol-5-yl)ethanamin [German] [ACD/IUPAC Name]
2-(6-Chloro-1,3-benzodioxol-5-yl)ethanamine [ACD/IUPAC Name]
2-(6-Chloro-1,3-benzodioxol-5-yl)éthanamine [French] [ACD/IUPAC Name]
910411-24-4 [RN]
MFCD08449647

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

Density: 1.3±0.1 g/cm3
Boiling Point: 309.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.7±27.9 °C
Index of Refraction: 1.591
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 44 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 149.1±3.0 cm3

Click to predict properties on the Chemicalize site






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