ChemSpider 2D Image | (1S,2S)-2-(Diethylamino)-1-phenyl-1-propanol | C13H21NO

(1S,2S)-2-(Diethylamino)-1-phenyl-1-propanol

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID23976978

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(Diethylamino)-1-phenyl-1-propanol [ACD/IUPAC Name]
(1S,2S)-2-(Diethylamino)-1-phenyl-1-propanol [German] [ACD/IUPAC Name]
(1S,2S)-2-(Diéthylamino)-1-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-(diethylamino)ethyl]-, (αS)- [ACD/Index Name]
(±)-N-DIETHYLNORPSEUDOEPHEDRINE
(1S,2S)-2-(diethylamino)-1-phenylpropan-1-ol
1217703-45-1 [RN]
34154-81-9 [RN]
37025-60-8 [RN]
N-Diethylnorpseudoephedrine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 311.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 111.9±21.2 °C
Index of Refraction: 1.521
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 23 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 210.7±3.0 cm3

Click to predict properties on the Chemicalize site


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