ChemSpider 2D Image | 4-[(3s,5s,7s)-Adamantan-1-ylmethyl]aniline | C17H23N

4-[(3s,5s,7s)-Adamantan-1-ylmethyl]aniline

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID97404053

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(3s,5s,7s)-Adamantan-1-ylmethyl]anilin [German] [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-ylmethyl]aniline [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-ylméthyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 377.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 158.2±7.1 °C
Index of Refraction: 1.621
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1052.83
ACD/KOC (pH 5.5): 4744.15
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1325.61
ACD/KOC (pH 7.4): 5973.31
Polar Surface Area: 26 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site


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