Found 1 result

Search term: GTJDKKGEHMPRJD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 9-Ethyl-1-methyl-9-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-4-yl heptylcarbamate | C22H34N2O2

9-Ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl heptylcarbamate

  • Molecular FormulaC22H34N2O2
  • Average mass358.518 Da
  • Monoisotopic mass358.262024 Da
  • ChemSpider ID23153636

More details:

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

2-ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl heptylcarbamate
9-Ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl heptylcarbamate [ACD/IUPAC Name]
9-Ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl-heptylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-heptyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester [ACD/Index Name]
Heptylcarbamate de 9-éthyl-1-méthyl-9-azatricyclo[6.3.1.02,7]dodéca-2,4,6-trién-4-yle [French] [ACD/IUPAC Name]
Heptyl-carbamic acid 9-ethyl-1-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302168/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.2±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 16.97
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 51.38
ACD/KOC (pH 7.4): 145.56
Polar Surface Area: 42 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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