ChemSpider 2D Image | Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | C18H22N2O2

Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

  • Molecular FormulaC18H22N2O2
  • Average mass298.379 Da
  • Monoisotopic mass298.168121 Da
  • ChemSpider ID23078109

More details:

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

1,1-Diméthyl-1,2,3,6-tétrahydroazépino[4,5-b]indole-5-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
1,2,3,6-Tetrahydro-1,1-dimethyl-azepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
942145-77-9 [RN]
Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate [ACD/IUPAC Name]
Isopropyl-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indol-5-carboxylat [German] [ACD/IUPAC Name]
[942145-77-9] [RN]
Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester
Azepino[4,5-b]indole-5-carboxylicacid,1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethylester
CS-13417
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 492.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.9±3.0 kJ/mol
    Flash Point: 251.5±28.7 °C
    Index of Refraction: 1.581
    Molar Refractivity: 87.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 4.20
    ACD/KOC (pH 5.5): 30.45
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 90.38
    ACD/KOC (pH 7.4): 655.80
    Polar Surface Area: 54 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 263.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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