ChemSpider 2D Image | 5-[(1S)-1-(3-Chlorophenyl)ethoxy]-2,4-quinazolinediamine | C16H15ClN4O

5-[(1S)-1-(3-Chlorophenyl)ethoxy]-2,4-quinazolinediamine

  • Molecular FormulaC16H15ClN4O
  • Average mass314.770 Da
  • Monoisotopic mass314.093445 Da
  • ChemSpider ID23311139

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Quinazolinediamine, 5-[(1S)-1-(3-chlorophenyl)ethoxy]- [ACD/Index Name]
5-[(1S)-1-(3-Chlorophenyl)ethoxy]-2,4-quinazolinediamine [ACD/IUPAC Name]
5-[(1S)-1-(3-Chlorophényl)éthoxy]-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
5-[(1S)-1-(3-Chlorphenyl)ethoxy]-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
(S)-5-(1-(3-chlorophenyl)ethoxy)quinazoline-2,4-diamine
CHEMBL253976
DD3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 11.05
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 48.63
ACD/KOC (pH 7.4): 358.87
Polar Surface Area: 87 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 228.5±3.0 cm3

Click to predict properties on the Chemicalize site


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