ChemSpider 2D Image | HS665 | C21H27NO

HS665

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID28666556

More details:

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

3-{2-[(Cyclobutylmethyl)(2-phenylethyl)amino]ethyl}phenol [German] [ACD/IUPAC Name]
3-{2-[(Cyclobutylmethyl)(2-phenylethyl)amino]ethyl}phenol [ACD/IUPAC Name]
3-{2-[(Cyclobutylméthyl)(2-phényléthyl)amino]éthyl}phénol [French] [ACD/IUPAC Name]
HS665
Phenol, 3-[2-[(cyclobutylmethyl)(2-phenylethyl)amino]ethyl]- [ACD/Index Name]
1409931-92-5 [RN]
3-(2-((CYCLOBUTYLMETHYL)(PHENETHYL)AMINO)ETHYL)PHENOL
3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol
compound 4 [PMID: 23134120]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 230.8±25.4 °C
Index of Refraction: 1.590
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 5.77
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 13.03
ACD/KOC (pH 7.4): 57.13
Polar Surface Area: 23 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


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