ChemSpider 2D Image | 1-(3-Chlorobenzyl)-3-{2-[(diethylamino)methyl]benzyl}-1-methylurea | C21H28ClN3O

1-(3-Chlorobenzyl)-3-{2-[(diethylamino)methyl]benzyl}-1-methylurea

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID30524809

More details:

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

1-(3-Chlorbenzyl)-3-{2-[(diethylamino)methyl]benzyl}-1-methylharnstoff [German] [ACD/IUPAC Name]
1-(3-Chlorobenzyl)-3-{2-[(diethylamino)methyl]benzyl}-1-methylurea [ACD/IUPAC Name]
1-(3-Chlorobenzyl)-3-{2-[(diéthylamino)méthyl]benzyl}-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N-[(3-chlorophenyl)methyl]-N'-[[2-[(diethylamino)methyl]phenyl]methyl]-N-methyl- [ACD/Index Name]
1-[(3-CHLOROPHENYL)METHYL]-3-({2-[(DIETHYLAMINO)METHYL]PHENYL}METHYL)-1-METHYLUREA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 542.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.16
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 4.63
ACD/KOC (pH 7.4): 25.52
Polar Surface Area: 36 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

Click to predict properties on the Chemicalize site


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