ChemSpider 2D Image | BK-BDB | C11H13NO3

BK-BDB

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID26954708

More details:

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

1213250-93-1 [RN]
4LQE09H5G4
BK-BDB
UNII:4LQE09H5G4
1-Butanone, 2-amino-1-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-butanon [German] [ACD/IUPAC Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-butanone [ACD/IUPAC Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-butanone [French] [ACD/IUPAC Name]
2-amino-1-(3,4-methylenedioxyphenyl)butan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 191.0±24.2 °C
Index of Refraction: 1.566
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 41.78
Polar Surface Area: 62 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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