ChemSpider 2D Image | (2E)-4-({4-[(3-Bromophenyl)amino]-6-quinazolinyl}amino)-N,N-dimethyl-4-oxo-2-buten-1-aminium | C20H21BrN5O

(2E)-4-({4-[(3-Bromophenyl)amino]-6-quinazolinyl}amino)-N,N-dimethyl-4-oxo-2-buten-1-aminium

  • Molecular FormulaC20H21BrN5O
  • Average mass427.317 Da
  • Monoisotopic mass426.092407 Da
  • ChemSpider ID21217730

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-({4-[(3-Bromophenyl)amino]-6-quinazolinyl}amino)-N,N-dimethyl-4-oxo-2-buten-1-aminium [ACD/IUPAC Name]
(2E)-4-({4-[(3-Bromophényl)amino]-6-quinazolinyl}amino)-N,N-diméthyl-4-oxo-2-butén-1-aminium [French] [ACD/IUPAC Name]
(2E)-4-({4-[(3-Bromphenyl)amino]-6-chinazolinyl}amino)-N,N-dimethyl-4-oxo-2-buten-1-aminium [German] [ACD/IUPAC Name]
2-Buten-1-aminium, 4-[[4-[(3-bromophenyl)amino]-6-quinazolinyl]amino]-N,N-dimethyl-4-oxo-, (2E)- [ACD/Index Name]

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

Density:
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 7.75
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 97.90
ACD/KOC (pH 7.4): 630.73
Polar Surface Area: 71 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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