ChemSpider 2D Image | (3S,6R)-6-(Methylamino)-4,4-diphenyl-3-heptanyl acetate | C22H29NO2

(3S,6R)-6-(Methylamino)-4,4-diphenyl-3-heptanyl acetate

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID30811293

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6R)-6-(Methylamino)-4,4-diphenyl-3-heptanyl acetate [ACD/IUPAC Name]
(3S,6R)-6-(Methylamino)-4,4-diphenyl-3-heptanyl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,6R)-6-(méthylamino)-4,4-diphényl-3-heptanyle [French] [ACD/IUPAC Name]
Benzeneethanol, α-ethyl-β-[(2R)-2-(methylamino)propyl]-β-phenyl-, acetate (ester), (αS)- [ACD/Index Name]
(-)-α-Noracetylmethadol
[(1S,4S)-1-ethyl-4-methylamino-2,2-di(phenyl)pentyl] acetate
[(3S,6S)-6-methylamino-4,4-di(phenyl)heptan-3-yl] acetate
[(3S,6S)-6-methylamino-4,4-di(phenyl)heptan-3-yl] ethanoate
1477-39-0 [RN]
216-027-8 [EINECS]
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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: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.0±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 14.79
Polar Surface Area: 38 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 331.3±3.0 cm3

Click to predict properties on the Chemicalize site


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