ChemSpider 2D Image | N-[5-(N,N-Dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-3,4,5-trimethoxybenzamide | C29H33N3O5

N-[5-(N,N-Dimethyl-β-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-3,4,5-trimethoxybenzamide

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID1020418

More details:

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

Benzamide, N-[5-[3-(dimethylamino)-1-oxopropyl]-10,11-dihydro-5H-dibenz[b,f]azepin-3-yl]-3,4,5-trimethoxy- [ACD/Index Name]
N-[5-(N,N-Dimethyl-β-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-[5-(N,N-Dimethyl-β-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-[5-(N,N-Diméthyl-β-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azépin-3-yl]-3,4,5-triméthoxybenzamide [French] [ACD/IUPAC Name]
N-[11-[3-(DIMETHYLAMINO)PROPANOYL]-5,6-DIHYDROBENZO[B][1]BENZAZEPIN-9-YL]-3,4,5-TRIMETHOXYBENZAMIDE

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

BAS 01176571 [DBID]
ChemDiv1_027295 [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: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 9.84
ACD/KOC (pH 7.4): 76.93
Polar Surface Area: 80 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 413.8±3.0 cm3

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