ChemSpider 2D Image | (3R,5S)-1-Adamantanecarbonitrile | C11H15N

(3R,5S)-1-Adamantanecarbonitrile

  • Molecular FormulaC11H15N
  • Average mass161.243 Da
  • Monoisotopic mass161.120453 Da
  • ChemSpider ID64858319
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(3R,5S)-1-Adamantancarbonitril [German] [ACD/IUPAC Name]
(3R,5S)-1-Adamantanecarbonitrile [ACD/IUPAC Name]
(3R,5S)-1-Adamantanecarbonitrile [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carbonitrile, (3R,5S)- [ACD/Index Name]
23074-42-2 [RN]
adamantanecarbonitrile
MFCD00074731 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 274.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 110.8±6.5 °C
Index of Refraction: 1.535
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.97
ACD/KOC (pH 5.5): 1051.84
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.97
ACD/KOC (pH 7.4): 1051.84
Polar Surface Area: 24 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 150.2±5.0 cm3

Click to predict properties on the Chemicalize site






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