ChemSpider 2D Image | MFCD00798475 | C11H19NO3

MFCD00798475

  • Molecular FormulaC11H19NO3
  • Average mass213.273 Da
  • Monoisotopic mass213.136490 Da
  • ChemSpider ID18764011

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3S,5S)-3-Hydroxy-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
200-835-2 [EINECS]
70939-97-8 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, ethyl ester, (1R,2R,3S,5S)- [ACD/Index Name]
Ecgonine ethyl ester
Ethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
MFCD00798475
(1R,2R,3S,5S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-hydroxy-8-methyl-, ethyl ester, (1R,2R,3S,5S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

WTI50ROZ5V [DBID]
UNII:WTI50ROZ5V [DBID]
UNII-WTI50ROZ5V [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 147.8±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 55.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


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