ChemSpider 2D Image | 3-(Dibenzylamino)-3-oxetanecarbonitrile | C18H18N2O

3-(Dibenzylamino)-3-oxetanecarbonitrile

  • Molecular FormulaC18H18N2O
  • Average mass278.348 Da
  • Monoisotopic mass278.141907 Da
  • ChemSpider ID26232009

More details:






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

3-(Dibenzylamino)-3-oxetancarbonitril [German] [ACD/IUPAC Name]
3-(Dibenzylamino)-3-oxetanecarbonitrile [ACD/IUPAC Name]
3-(Dibenzylamino)-3-oxétanecarbonitrile [French] [ACD/IUPAC Name]
3-Oxetanecarbonitrile, 3-[bis(phenylmethyl)amino]- [ACD/Index Name]
[1021393-00-9]
102139-30-0 [RN]
1021393-00-9 [RN]
3-(Dibenzylamino)oxetane-3-carbonitrile
3-[Bis(phenylmethyl)amino]-3-oxetanecarbonitrile
MFCD18432775 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.5±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.10
ACD/KOC (pH 5.5): 1369.29
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.12
ACD/KOC (pH 7.4): 1369.46
Polar Surface Area: 36 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 236.6±5.0 cm3

Click to predict properties on the Chemicalize site






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