ChemSpider 2D Image | 1-(Cyclooctylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-methylpiperidinium | C29H37Cl2N2O2

1-(Cyclooctylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-methylpiperidinium

  • Molecular FormulaC29H37Cl2N2O2
  • Average mass516.522 Da
  • Monoisotopic mass515.222656 Da
  • ChemSpider ID8755395

  • Charge - Charge

More details:

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

1-(Cyclooctylmethyl)-4-{[(2,7-dichlor-9H-xanthen-9-yl)carbonyl]amino}-1-methylpiperidinium [German] [ACD/IUPAC Name]
1-(Cyclooctylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-methylpiperidinium [ACD/IUPAC Name]
1-(Cyclooctylméthyl)-4-{[(2,7-dichloro-9H-xanthén-9-yl)carbonyl]amino}-1-méthylpipéridinium [French] [ACD/IUPAC Name]
Piperidinium, 1-(cyclooctylmethyl)-4-[[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino]-1-methyl- [ACD/Index Name]
CHEMBL33929

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.23
ACD/KOC (pH 5.5): 463.55
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.23
ACD/KOC (pH 7.4): 463.55
Polar Surface Area: 38 Å2
Polarizability:
Surface Tension:
Molar Volume:

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