ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-yl]-1,2-benzenediamine | C16H22N2

N-[(3s,5s,7s)-Adamantan-1-yl]-1,2-benzenediamine

  • Molecular FormulaC16H22N2
  • Average mass242.359 Da
  • Monoisotopic mass242.178299 Da
  • ChemSpider ID23373645

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2-Benzenediamine, N1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1,2-benzenediamine [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1,2-benzènediamine [French] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1,2-benzoldiamin [German] [ACD/IUPAC Name]
N-[(3S,5S,7S)-Adamantan-1-yl]benzene-1,2-diamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 233.0±27.6 °C
Index of Refraction: 1.674
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 28.77
ACD/KOC (pH 5.5): 192.53
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 290.99
ACD/KOC (pH 7.4): 1947.36
Polar Surface Area: 38 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 201.4±3.0 cm3

Click to predict properties on the Chemicalize site


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