ChemSpider 2D Image | 3',4'-methylenedioxy-?-pyrrolidinobutiophenone | C15H19NO3

3',4'-methylenedioxy-?-pyrrolidinobutiophenone

  • Molecular FormulaC15H19NO3
  • Average mass261.316 Da
  • Monoisotopic mass261.136505 Da
  • ChemSpider ID52084589

More details:

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

1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-butanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-butanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)- [ACD/Index Name]
3',4'-methylenedioxy-?-pyrrolidinobutiophenone
784985-33-7 [RN]
1-(1,3-benzodioxol-5-yl)-2-(pyrrolidine-1-yl)buthanan-1-one [ACD/IUPAC Name]
1-(3,4-methylenedioxyphenyl)-2-(pyrrolidin-1-yl)butan-1-one
3’,4'-methylendioxy-α-pyrrolidinobutyrophenone [ACD/IUPAC Name]
MDPBP [ACD/IUPAC Name]

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

979L917V7T [DBID]
UNII:979L917V7T [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.8±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 26.64
Polar Surface Area: 39 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement