ChemSpider 2D Image | Benzyl 2-(iodomethyl)-1-pyrrolidinecarboxylate | C13H16INO2

Benzyl 2-(iodomethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID28302707

More details:

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

1196044-39-9 [RN]
1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, phenylmethyl ester [ACD/Index Name]
2-(Iodométhyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-(iodomethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl 2-(iodomethyl)pyrrolidine-1-carboxylate
Benzyl-2-(iodmethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
172885-53-9 [RN]
2-Iodomethylpyrrolidine-1-carboxylic acid benzyl ester
2-Iodomethyl-pyrrolidine-1-carboxylic acid benzyl ester
MFCD21097815
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 406.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.4±24.0 °C
Index of Refraction: 1.605
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.60
ACD/KOC (pH 5.5): 1469.36
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.60
ACD/KOC (pH 7.4): 1469.36
Polar Surface Area: 30 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 218.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement