ChemSpider 2D Image | ?-allylprodine | C18H25NO2

?-allylprodine

  • Molecular FormulaC18H25NO2
  • Average mass287.397 Da
  • Monoisotopic mass287.188538 Da
  • ChemSpider ID23235550

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate
(3R,4S)-3-Allyl-1-methyl-4-phenyl-4-piperidinyl propionate [ACD/IUPAC Name]
(3R,4S)-3-Allyl-1-methyl-4-phenyl-4-piperidinylpropionat [German] [ACD/IUPAC Name]
?-allylprodine
4-Piperidinol, 1-methyl-4-phenyl-3-(2-propen-1-yl)-, propanoate (ester), (3R,4S)- [ACD/Index Name]
53611-18-0 [RN]
Propionate de (3R,4S)-3-allyl-1-méthyl-4-phényl-4-pipéridinyle [French] [ACD/IUPAC Name]
25384-17-2 [RN]
allylprodine [BAN] [INN] [Wiki]
Allylprodine, α-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

G98M360H09 [DBID]
UNII:G98M360H09 [DBID]
UNII-G98M360H09 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 366.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 113.8±18.8 °C
Index of Refraction: 1.539
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 24.61
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 92.60
ACD/KOC (pH 7.4): 768.87
Polar Surface Area: 30 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 273.9±5.0 cm3

Click to predict properties on the Chemicalize site


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