ChemSpider 2D Image | 2-{[(3s,5s,7s)-Adamantan-1-ylamino]methyl}phenol | C17H23NO

2-{[(3s,5s,7s)-Adamantan-1-ylamino]methyl}phenol

  • Molecular FormulaC17H23NO
  • Average mass257.371 Da
  • Monoisotopic mass257.177979 Da
  • ChemSpider ID97403645

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{[(3s,5s,7s)-Adamantan-1-ylamino]methyl}phenol [German] [ACD/IUPAC Name]
2-{[(3s,5s,7s)-Adamantan-1-ylamino]methyl}phenol [ACD/IUPAC Name]
2-{[(3s,5s,7s)-Adamantan-1-ylamino]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 395.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 119.6±11.6 °C
Index of Refraction: 1.610
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 9.11
Polar Surface Area: 32 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 221.1±5.0 cm3

Click to predict properties on the Chemicalize site


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