ChemSpider 2D Image | 6-[(2-Phenylethyl)(propyl)amino]-5,6,7,8-tetrahydro-1-naphthalenol | C21H27NO

6-[(2-Phenylethyl)(propyl)amino]-5,6,7,8-tetrahydro-1-naphthalenol

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID24679476

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Naphthalenol, 5,6,7,8-tetrahydro-6-[(2-phenylethyl)propylamino]- [ACD/Index Name]
6-[(2-Phényléthyl)(propyl)amino]-5,6,7,8-tétrahydro-1-naphtalénol [French] [ACD/IUPAC Name]
6-[(2-Phenylethyl)(propyl)amino]-5,6,7,8-tetrahydro-1-naphthalenol [ACD/IUPAC Name]
6-[(2-Phenylethyl)(propyl)amino]-5,6,7,8-tetrahydro-1-naphthalinol [German] [ACD/IUPAC Name]
Acetic acid 6-(1-phenyl-ethyl)-6-aza-bicyclo[3.2.1]oct-3-yl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 228.6±27.4 °C
Index of Refraction: 1.600
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 11.97
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 55.76
ACD/KOC (pH 7.4): 189.64
Polar Surface Area: 23 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

Click to predict properties on the Chemicalize site


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