ChemSpider 2D Image | METHYLENEDIOXYPYRROLIDINOHEXIOPHENONE | C17H23NO3

METHYLENEDIOXYPYRROLIDINOHEXIOPHENONE

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID52085733

More details:

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

1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-hexanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-hexanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)- [ACD/Index Name]
776994-64-0 [RN]
METHYLENEDIOXYPYRROLIDINOHEXIOPHENONE
1-(1,3-benzodiox-5-yl)-2-(pyrrolidine-1-yl)hexane-1-one [ACD/IUPAC Name]
MDPHP [ACD/IUPAC Name]

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

7P3X2C24CS [DBID]
UNII:7P3X2C24CS [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 427.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.5±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 112.01
Polar Surface Area: 39 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement