ChemSpider 2D Image | 2-Amino-2-(6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-propanediol | C21H35NO2

2-Amino-2-(6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-propanediol

  • Molecular FormulaC21H35NO2
  • Average mass333.508 Da
  • Monoisotopic mass333.266785 Da
  • ChemSpider ID28600451

More details:






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

1,3-Propanediol, 2-amino-2-(1,2,3,4-tetrahydro-6-octyl-2-naphthalenyl)- [ACD/Index Name]
2-Amino-2-(6-octyl-1,2,3,4-tétrahydro-2-naphtalényl)-1,3-propanediol [French] [ACD/IUPAC Name]
2-Amino-2-(6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-propanediol [ACD/IUPAC Name]
2-Amino-2-(6-octyl-1,2,3,4-tetrahydro-2-naphthalinyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-Amino-2-(6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,3-diol
945632-52-0 [RN]
MFCD22495462 [MDL number]
MFCD24038852

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.6±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 9.04
ACD/KOC (pH 5.5): 22.71
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 70.55
ACD/KOC (pH 7.4): 177.25
Polar Surface Area: 66 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

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