ChemSpider 2D Image | 3-[Methyl(2-octadecanyl)amino]propanenitrile | C22H44N2

3-[Methyl(2-octadecanyl)amino]propanenitrile

  • Molecular FormulaC22H44N2
  • Average mass336.598 Da
  • Monoisotopic mass336.350464 Da
  • ChemSpider ID57510085

More details:

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

3-[Methyl(2-octadecanyl)amino]propanenitrile [ACD/IUPAC Name]
3-[Méthyl(2-octadécanyl)amino]propanenitrile [French] [ACD/IUPAC Name]
3-[Methyl(2-octadecanyl)amino]propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 3-[methyl(1-methylheptadecyl)amino]- [ACD/Index Name]
3-[METHYL(OCTADECAN-2-YL)AMINO]PROPANENITRILE
60472-38-0 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 448.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 174.0±10.5 °C
Index of Refraction: 1.460
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 3018.07
ACD/KOC (pH 5.5): 1956.61
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 144751.50
ACD/KOC (pH 7.4): 93842.12
Polar Surface Area: 27 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


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