ChemSpider 2D Image | (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl methanesulfonate | C9H17NO3S

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl methanesulfonate

  • Molecular FormulaC9H17NO3S
  • Average mass219.301 Da
  • Monoisotopic mass219.092911 Da
  • ChemSpider ID28536221

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl methanesulfonate [ACD/IUPAC Name]
(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-methansulfonat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, methanesulfonate (ester), (3-exo) [ACD/Index Name]
Méthanesulfonate de (3-exo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
T56 A ANTJ A1 GOSW1 &&exo Form [WLN]
35136-87-9 [RN]
MFCD12965025

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

Density: 1.3±0.1 g/cm3
Boiling Point: 347.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.7±24.8 °C
Index of Refraction: 1.531
Molar Refractivity: 54.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 174.6±5.0 cm3

Click to predict properties on the Chemicalize site


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