ChemSpider 2D Image | (1R,13bS)-1,2-Dimethyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine | C18H20N2

(1R,13bS)-1,2-Dimethyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine

  • Molecular FormulaC18H20N2
  • Average mass264.365 Da
  • Monoisotopic mass264.162659 Da
  • ChemSpider ID88297249

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,13bS)-1,2-Dimethyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin [German] [ACD/IUPAC Name]
(1R,13bS)-1,2-Dimethyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine [ACD/IUPAC Name]
(1R,13bS)-1,2-Diméthyl-2,3,9,13b-tétrahydro-1H-dibenzo[c,f]imidazo[1,5-a]azépine [French] [ACD/IUPAC Name]
1H-Dibenz[c,f]imidazo[1,5-a]azepine, 2,3,9,13b-tetrahydro-1,2-dimethyl-, (1R,13bS)- [ACD/Index Name]
124097-52-5 [RN]

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

Brl 41992 [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: 402.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 181.1±13.5 °C
Index of Refraction: 1.661
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 12.23
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 71.19
ACD/KOC (pH 7.4): 556.40
Polar Surface Area: 6 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 224.3±5.0 cm3

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