ChemSpider 2D Image | (3R)-1-Benzyl-3-(2,2,5,5-~2~H_4_)pyrrolidinol | C11H11D4NO

(3R)-1-Benzyl-3-(2,2,5,5-2H4)pyrrolidinol

  • Molecular FormulaC11H11D4NO
  • Average mass181.268 Da
  • Monoisotopic mass181.140472 Da
  • ChemSpider ID107446756
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R)-1-Benzyl-3-(2,2,5,5-2H4)pyrrolidinol [German] [ACD/IUPAC Name]
(3R)-1-Benzyl-3-(2,2,5,5-2H4)pyrrolidinol [ACD/IUPAC Name]
(3R)-1-Benzyl-3-(2,2,5,5-2H4)pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidin-2,2,5,5-d4-ol, 1-(phenylmethyl)-, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 297.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 115.7±18.1 °C
Index of Refraction: 1.596
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 23 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 155.1±3.0 cm3

Click to predict properties on the Chemicalize site






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