ChemSpider 2D Image | 1-[(S)-(4-Bromophenyl)(phenyl)methyl]pyrrolidine | C17H18BrN

1-[(S)-(4-Bromophenyl)(phenyl)methyl]pyrrolidine

  • Molecular FormulaC17H18BrN
  • Average mass316.236 Da
  • Monoisotopic mass315.062256 Da
  • ChemSpider ID32806718

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(S)-(4-Bromophenyl)(phenyl)methyl]pyrrolidine [ACD/IUPAC Name]
1-[(S)-(4-Bromophényl)(phényl)méthyl]pyrrolidine [French] [ACD/IUPAC Name]
1-[(S)-(4-Bromphenyl)(phenyl)methyl]pyrrolidin [German] [ACD/IUPAC Name]
Pyrrolidine, 1-[(S)-(4-bromophenyl)phenylmethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 381.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.7±23.7 °C
Index of Refraction: 1.617
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 11.25
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 96.51
ACD/KOC (pH 7.4): 393.55
Polar Surface Area: 3 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


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