ChemSpider 2D Image | 1-Azepanyl(cyclopentyl)acetonitrile | C13H22N2

1-Azepanyl(cyclopentyl)acetonitrile

  • Molecular FormulaC13H22N2
  • Average mass206.327 Da
  • Monoisotopic mass206.178299 Da
  • ChemSpider ID21800379

More details:






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

1119449-72-7 [RN]
1-Azepanyl(cyclopentyl)acetonitril [German] [ACD/IUPAC Name]
1-Azepanyl(cyclopentyl)acetonitrile [ACD/IUPAC Name]
1-Azépanyl(cyclopentyl)acétonitrile [French] [ACD/IUPAC Name]
1H-Azepine-1-acetonitrile, α-cyclopentylhexahydro- [ACD/Index Name]
2-(Azepan-1-yl)-2-cyclopentylacetonitrile
Azepan-1-yl(cyclopentyl)acetonitrile
[1119449-72-7] [RN]
2-azaperhydroepinyl-2-cyclopentylethanenitrile

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

MFCD12026893 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 318.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 129.2±12.4 °C
Index of Refraction: 1.510
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 95.53
ACD/KOC (pH 5.5): 801.60
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.13
ACD/KOC (pH 7.4): 1243.04
Polar Surface Area: 27 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

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