ChemSpider 2D Image | 4-[(8S)-8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline | C17H17N3O2

4-[(8S)-8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline

  • Molecular FormulaC17H17N3O2
  • Average mass295.336 Da
  • Monoisotopic mass295.132080 Da
  • ChemSpider ID32787418

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(8S)-8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]anilin [German] [ACD/IUPAC Name]
4-[(8S)-8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline [ACD/IUPAC Name]
4-[(8S)-8-Méthyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazépin-5-yl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-[(8S)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 81.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 20.87
ACD/KOC (pH 5.5): 302.06
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.91
ACD/KOC (pH 7.4): 317.07
Polar Surface Area: 69 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 210.5±7.0 cm3

Click to predict properties on the Chemicalize site


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