ChemSpider 2D Image | 1-Phenyl-2-(1-pyrrolidinyl)-1-heptanone | C17H25NO

1-Phenyl-2-(1-pyrrolidinyl)-1-heptanone

  • Molecular FormulaC17H25NO
  • Average mass259.387 Da
  • Monoisotopic mass259.193604 Da
  • ChemSpider ID57379805

More details:






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

13415-83-3 [RN]
1-Heptanone, 1-phenyl-2-(1-pyrrolidinyl)- [ACD/Index Name]
1-Phenyl-2-(1-pyrrolidinyl)-1-heptanon [German] [ACD/IUPAC Name]
1-Phenyl-2-(1-pyrrolidinyl)-1-heptanone [ACD/IUPAC Name]
1-Phényl-2-(1-pyrrolidinyl)-1-heptanone [French] [ACD/IUPAC Name]
1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one
??-pyrrolidinoheptanophenone
α-Pyrrolidinoenantophenone [ACD/IUPAC Name]

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

E6220IS097 [DBID]
UNII:E6220IS097 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 370.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 127.6±12.5 °C
Index of Refraction: 1.529
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 8.91
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 72.00
ACD/KOC (pH 7.4): 329.30
Polar Surface Area: 20 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 257.3±3.0 cm3

Click to predict properties on the Chemicalize site






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