ChemSpider 2D Image | (2R)-1-(3,8-Dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)-2-propanol | C19H20N2O

(2R)-1-(3,8-Dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)-2-propanol

  • Molecular FormulaC19H20N2O
  • Average mass292.375 Da
  • Monoisotopic mass292.157562 Da
  • ChemSpider ID35033393

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(3,8-Dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(3,8-Dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)-2-propanol [ACD/IUPAC Name]
(2R)-1-(3,8-Dihydrodibenzo[b,f]pyrrolo[3,4-d]azépin-2(1H)-yl)-2-propanol [French] [ACD/IUPAC Name]
(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-D]azepin-2(1H)-yl)propan-2-ol
Dibenzo[b,f]pyrrolo[3,4-d]azepine-2(1H)-ethanol, 3,8-dihydro-α-methyl-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.7±26.8 °C
Index of Refraction: 1.688
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 6.39
ACD/KOC (pH 5.5): 49.24
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 144.68
ACD/KOC (pH 7.4): 1114.38
Polar Surface Area: 36 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

Click to predict properties on the Chemicalize site


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