ChemSpider 2D Image | N'-(8-Chloro-1H-pyrido[2,3-b][1,4]benzodiazepin-6-yl)-N,N-dimethyl-1,3-propanediamine | C17H20ClN5

N'-(8-Chloro-1H-pyrido[2,3-b][1,4]benzodiazepin-6-yl)-N,N-dimethyl-1,3-propanediamine

  • Molecular FormulaC17H20ClN5
  • Average mass329.827 Da
  • Monoisotopic mass329.140717 Da
  • ChemSpider ID21132561

More details:

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

1,3-Propanediamine, N3-(8-chloro-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-ylidene)-N1,N1-dimethyl- [ACD/Index Name]
N'-(8-Chlor-1H-pyrido[2,3-b][1,4]benzodiazepin-6-yl)-N,N-dimethyl-1,3-propandiamin [German] [ACD/IUPAC Name]
N'-(8-chloro-11H-pyrido[2,3-b][1,4]benzodiazepin-6-yl)-N,N-dimethylpropane-1,3-diamine
N'-(8-Chloro-1H-pyrido[2,3-b][1,4]benzodiazepin-6-yl)-N,N-dimethyl-1,3-propanediamine [ACD/IUPAC Name]
N'-(8-Chloro-1H-pyrido[2,3-b][1,4]benzodiazépin-6-yl)-N,N-diméthyl-1,3-propanediamine [French] [ACD/IUPAC Name]
CHEMBL423760
N'-(8-Chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-N,N-dimethyl-propane-1,3-diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.6±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 9.77
Polar Surface Area: 53 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 257.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement