ChemSpider 2D Image | 1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-butanone | C15H21NO

1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-butanone

  • Molecular FormulaC15H21NO
  • Average mass231.333 Da
  • Monoisotopic mass231.162308 Da
  • ChemSpider ID52084421

More details:

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

1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-butanon [German] [ACD/IUPAC Name]
1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-butanone [ACD/IUPAC Name]
1-(4-Méthylphényl)-2-(1-pyrrolidinyl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)- [ACD/Index Name]
732180-91-5 [RN]
1-(4-methylphenyl)-2-(pyrrolidine-1-yl)buthane-1-one [ACD/IUPAC Name]
4-methyl-α-pyrrolidinobutyrophenone [ACD/IUPAC Name]

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

B1GB3U8YGM [DBID]
UNII:B1GB3U8YGM [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 347.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 123.2±12.5 °C
Index of Refraction: 1.540
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 25.30
ACD/KOC (pH 7.4): 197.65
Polar Surface Area: 20 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 224.1±3.0 cm3

Click to predict properties on the Chemicalize site


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