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]
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]
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
Azepino[4,5-b]indole-5-carboxylicacid,1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethylester
ISOPROPYL 1,1-DIMETHYL-2H,3H,6H-AZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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