ChemSpider 2D Image | Benzyl (3S)-3-(bromomethyl)-1-pyrrolidinecarboxylate | C13H16BrNO2

Benzyl (3S)-3-(bromomethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID113606336

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Bromométhyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-(bromomethyl)-, phenylmethyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-(bromomethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3S)-3-(brommethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 388.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.9±23.2 °C
Index of Refraction: 1.572
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.27
ACD/KOC (pH 5.5): 1347.09
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.27
ACD/KOC (pH 7.4): 1347.09
Polar Surface Area: 30 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 212.3±3.0 cm3

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