ChemSpider 2D Image | Bisaramil | C17H23ClN2O2

Bisaramil

  • Molecular FormulaC17H23ClN2O2
  • Average mass322.830 Da
  • Monoisotopic mass322.144806 Da
  • ChemSpider ID32699611

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9-syn)-3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]non-9-yl 4-chlorobenzoate [ACD/IUPAC Name]
(9-syn)-3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]non-9-yl-4-chlorbenzoat [German] [ACD/IUPAC Name]
4-Chlorobenzoate de (9-syn)-3-éthyl-7-méthyl-3,7-diazabicyclo[3.3.1]non-9-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-, (9-syn)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]non-9-yl ester [ACD/Index Name]
Bisaramil [INN]
FVT2ESG270
[(1R,5S)-7-ethyl-3-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate
[(1S,5R)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate
4-chlorobenzoic acid [(1R,5S)-7-ethyl-3-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] ester
benzoic acid, 4-chloro-, 3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl ester,
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6326 [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: 404.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 198.1±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 23.86
ACD/KOC (pH 7.4): 162.40
Polar Surface Area: 33 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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