ChemSpider 2D Image | 3-[(4S)-6-Chloro-2-methyl-4-(4-methylphenyl)-3(4H)-quinazolinyl]-N,N-dimethyl-1-propanamine | C21H26ClN3

3-[(4S)-6-Chloro-2-methyl-4-(4-methylphenyl)-3(4H)-quinazolinyl]-N,N-dimethyl-1-propanamine

  • Molecular FormulaC21H26ClN3
  • Average mass355.904 Da
  • Monoisotopic mass355.181519 Da
  • ChemSpider ID25058797

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3(4H)-Quinazolinepropanamine, 6-chloro-N,N,2-trimethyl-4-(4-methylphenyl)-, (4S)- [ACD/Index Name]
3-[(4S)-6-Chlor-2-methyl-4-(4-methylphenyl)-3(4H)-chinazolinyl]-N,N-dimethyl-1-propanamin [German] [ACD/IUPAC Name]
3-[(4S)-6-Chloro-2-methyl-4-(4-methylphenyl)-3(4H)-quinazolinyl]-N,N-dimethyl-1-propanamine [ACD/IUPAC Name]
3-[(4S)-6-Chloro-2-méthyl-4-(4-méthylphényl)-3(4H)-quinazolinyl]-N,N-diméthyl-1-propanamine [French] [ACD/IUPAC Name]
3-[(4s)-6-Chloro-2-Methyl-4-(4-Methylphenyl)quinazolin-3(4h)-Yl]-N,N-Dimethylpropan-1-Amine
WPF

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.1±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 19 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site


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