ChemSpider 2D Image | 1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea | C18H22ClN3O2

1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea

  • Molecular FormulaC18H22ClN3O2
  • Average mass347.839 Da
  • Monoisotopic mass347.140045 Da
  • ChemSpider ID28663434

More details:

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

1-{3-[(3-Chlor-5-methoxybenzyl)amino]propyl}-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea [ACD/IUPAC Name]
1-{3-[(3-Chloro-5-méthoxybenzyl)amino]propyl}-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[3-[[(3-chloro-5-methoxyphenyl)methyl]amino]propyl]-N'-phenyl- [ACD/Index Name]

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

415 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.0±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 25.21
ACD/KOC (pH 7.4): 137.03
Polar Surface Area: 62 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

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