ChemSpider 2D Image | 3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitrile | C14H19N3

3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitrile

  • Molecular FormulaC14H19N3
  • Average mass229.321 Da
  • Monoisotopic mass229.157898 Da
  • ChemSpider ID21472865

More details:

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

3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzonitrile [ACD/IUPAC Name]
3-[(4-Méthyl-1,4-diazépan-1-yl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
3-[(4-Methylhomopiperazin-1-yl)methyl]benzonitrile
Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]- [ACD/Index Name]
MFCD09702379 [MDL number]
3-((4-Methyl-1,4-diazepan-1-yl)methyl)benzonitrile
3-[(4-methyl-1,4-diazaperhydroepinyl)methyl]benzenecarbonitrile
3-[(4-methylperhydro-1,4-diazepin-1-yl)methyl]benzonitrile
886851-49-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 344.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 142.3±14.4 °C
Index of Refraction: 1.579
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 30 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 209.1±5.0 cm3

Click to predict properties on the Chemicalize site


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