ChemSpider 2D Image | 246I1D7TDL | C13H21NO

246I1D7TDL

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID30778574
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1246819-18-0 [RN]
1300037-83-5 [RN]
200-659-6 [EINECS]
246I1D7TDL
3-[(2R,3R)-2-Methyl-1-(methylamino)-3-pentanyl]phenol [German] [ACD/IUPAC Name]
3-[(2R,3R)-2-Methyl-1-(methylamino)-3-pentanyl]phenol [ACD/IUPAC Name]
3-[(2R,3R)-2-Méthyl-1-(méthylamino)-3-pentanyl]phénol [French] [ACD/IUPAC Name]
MFCD16294728
N-DEMETHYLTAPENTADOL
N-Desmethyltapentadol solution
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 324.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 93.3±13.8 °C
Index of Refraction: 1.516
Molar Refractivity: 64.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 32 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

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