ChemSpider 2D Image | (1S,2S)-2-[Acetyl(methyl)amino]-1-phenylpropyl acetate | C14H19NO3

(1S,2S)-2-[Acetyl(methyl)amino]-1-phenylpropyl acetate

  • Molecular FormulaC14H19NO3
  • Average mass249.306 Da
  • Monoisotopic mass249.136490 Da
  • ChemSpider ID27524678
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2S)-2-[Acetyl(methyl)amino]-1-phenylpropyl acetate [ACD/IUPAC Name]
(1S,2S)-2-[Acetyl(methyl)amino]-1-phenylpropyl-acetat [German] [ACD/IUPAC Name]
144032-36-0 [RN]
Acetamide, N-[(1S,2S)-2-(acetyloxy)-1-methyl-2-phenylethyl]-N-methyl- [ACD/Index Name]
Acétate de (1S,2S)-2-[acétyl(méthyl)amino]-1-phénylpropyle [French] [ACD/IUPAC Name]
(1S,2S)-N,O-Diacetylpseudoephedrine
[(1S,2S)-2-[acetyl(methyl)amino]-1-phenylpropyl] acetate
[(1S,2S)-2-[acetyl(methyl)amino]-1-phenyl-propyl] acetate
rac n,o-diacetyl pseudoephedrine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.9±25.9 °C
Index of Refraction: 1.512
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.10
ACD/KOC (pH 5.5): 182.14
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 182.14
Polar Surface Area: 47 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site






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