ChemSpider 2D Image | PRC200 | C20H21NO

PRC200

  • Molecular FormulaC20H21NO
  • Average mass291.387 Da
  • Monoisotopic mass291.162323 Da
  • ChemSpider ID19318181
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2S)-3-(Methylamino)-2-(2-naphthyl)-1-phenyl-1-propanol [ACD/IUPAC Name]
(1S,2S)-3-(Methylamino)-2-(2-naphthyl)-1-phenyl-1-propanol [German] [ACD/IUPAC Name]
(1S,2S)-3-(Méthylamino)-2-(2-naphtyl)-1-phényl-1-propanol [French] [ACD/IUPAC Name]
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
2-Naphthaleneethanol, β-[(methylamino)methyl]-α-phenyl-, (αS,βS)- [ACD/Index Name]
PRC200 [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 474.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 138.5±19.4 °C
Index of Refraction: 1.637
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 12.25
Polar Surface Area: 32 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 257.9±3.0 cm3

Click to predict properties on the Chemicalize site





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