ChemSpider 2D Image | 1-[(3s,5s,7s)-Adamantan-1-yl]-1-phenylmethanamine | C17H23N

1-[(3s,5s,7s)-Adamantan-1-yl]-1-phenylmethanamine

  • Molecular FormulaC17H23N
  • Average mass241.371 Da
  • Monoisotopic mass241.183044 Da
  • ChemSpider ID65009714

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-[(3s,5s,7s)-Adamantan-1-yl]-1-phenylmethanamin [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-1-phenylmethanamine [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-1-phénylméthanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-phenyl- [ACD/Index Name]
139026-44-1 [RN]
1-Adamantyl(phenyl)methanamine
1-phenyl-1-[(3R,5S,7s)-adamantan-1-yl]methanamine
adamantan-1-yl(phenyl)methanamine
MFCD02632254 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 355.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 147.3±9.9 °C
Index of Refraction: 1.606
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 10.02
ACD/KOC (pH 7.4): 56.38
Polar Surface Area: 26 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 216.9±3.0 cm3

Click to predict properties on the Chemicalize site


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