ChemSpider 2D Image | N-[1-(1,3-Benzodioxol-5-yl)ethyl]-2-propanamine | C12H17NO2

N-[1-(1,3-Benzodioxol-5-yl)ethyl]-2-propanamine

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID24422984

More details:






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

1,3-Benzodioxole-5-methanamine, α-methyl-N-(1-methylethyl)- [ACD/Index Name]
N-[1-(1,3-Benzodioxol-5-yl)ethyl]-2-propanamin [German] [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)ethyl]-2-propanamine [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)éthyl]-2-propanamine [French] [ACD/IUPAC Name]
[1-(1,3-dioxaindan-5-yl)ethyl](propan-2-yl)amine
[1-(2H-1,3-benzodioxol-5-yl)ethyl](propan-2-yl)amine
121734-68-7 [RN]
MFCD11139220

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

Density: 1.1±0.1 g/cm3
Boiling Point: 279.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 114.6±13.7 °C
Index of Refraction: 1.528
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 30 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 192.9±3.0 cm3

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