ChemSpider 2D Image | 8-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine | C12H17NO

8-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC12H17NO
  • Average mass191.270 Da
  • Monoisotopic mass191.131012 Da
  • ChemSpider ID23245689

More details:

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

1H-3-Benzazepine, 2,3,4,5-tetrahydro-8-methoxy-1-methyl- [ACD/Index Name]
8-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
8-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
8-Méthoxy-1-méthyl-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC Name]
849663-07-6 [RN]
8-Methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CHEMBL361742
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL361742/
methoxy-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
MFCD11040222

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

Density: 1.0±0.1 g/cm3
Boiling Point: 303.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 122.2±17.3 °C
Index of Refraction: 1.507
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 21 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site


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