ChemSpider 2D Image | 1-[4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one | C12H17ClN6O2

1-[4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one

  • Molecular FormulaC12H17ClN6O2
  • Average mass312.755 Da
  • Monoisotopic mass312.110138 Da
  • ChemSpider ID40514127

More details:

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

1-[4-Chlor-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-[4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one [ACD/IUPAC Name]
1-[4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, 1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hexahydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.82
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.54
Polar Surface Area: 83 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 226.9±3.0 cm3

Click to predict properties on the Chemicalize site


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