ChemSpider 2D Image | 1-[(5R,7S)-3-(4-Methylphenyl)adamantan-1-yl]methanamine | C18H25N

1-[(5R,7S)-3-(4-Methylphenyl)adamantan-1-yl]methanamine

  • Molecular FormulaC18H25N
  • Average mass255.398 Da
  • Monoisotopic mass255.198700 Da
  • ChemSpider ID57263764

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(5R,7S)-3-(4-Methylphenyl)adamantan-1-yl]methanamin [German] [ACD/IUPAC Name]
1-[(5R,7S)-3-(4-Methylphenyl)adamantan-1-yl]methanamine [ACD/IUPAC Name]
1-[(5R,7S)-3-(4-Méthylphényl)adamantan-1-yl]méthanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanamine, 3-(4-methylphenyl)-, (5R,7S)- [ACD/Index Name]
[(5R,7S)-3-(4-METHYLPHENYL)-1-ADAMANTYL]METHANAMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 181.4±6.9 °C
Index of Refraction: 1.595
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 5.38
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 13.66
Polar Surface Area: 26 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


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