ChemSpider 2D Image | 4-Chloro-5-{[(3R,5S)-5-isobutyl-1-methyl-3-piperidinyl]amino}-2-methyl-3(2H)-pyridazinone | C15H25ClN4O

4-Chloro-5-{[(3R,5S)-5-isobutyl-1-methyl-3-piperidinyl]amino}-2-methyl-3(2H)-pyridazinone

  • Molecular FormulaC15H25ClN4O
  • Average mass312.838 Da
  • Monoisotopic mass312.171692 Da
  • ChemSpider ID76800819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3(2H)-Pyridazinone, 4-chloro-2-methyl-5-[[(3R,5S)-1-methyl-5-(2-methylpropyl)-3-piperidinyl]amino]- [ACD/Index Name]
4-Chlor-5-{[(3R,5S)-5-isobutyl-1-methyl-3-piperidinyl]amino}-2-methyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4-Chloro-5-{[(3R,5S)-5-isobutyl-1-methyl-3-piperidinyl]amino}-2-methyl-3(2H)-pyridazinone [ACD/IUPAC Name]
4-Chloro-5-{[(3R,5S)-5-isobutyl-1-méthyl-3-pipéridinyl]amino}-2-méthyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.2±30.7 °C
Index of Refraction: 1.595
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 48 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 251.2±7.0 cm3

Click to predict properties on the Chemicalize site


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