Deprecated ChemSpider Record

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ChemSpider 2D Image | 6-(allylamino)hexyl-trimethyl-ammonium; N-allyldecan-1-amine; 2-(chloromethyl)oxirane; prop-2-en-1-amine; chloride; hydrochloride | C31H67Cl3N4O

6-(allylamino)hexyl-trimethyl-ammonium; N-allyldecan-1-amine; 2-(chloromethyl)oxirane; prop-2-en-1-amine; chloride; hydrochloride

  • Molecular FormulaC31H67Cl3N4O
  • Average mass618.249 Da
  • Monoisotopic mass616.438049 Da
  • ChemSpider ID140701
  • Charge - Charge


More details:





Date of deprecation: 18:43, Feb 19, 2012
Reason for deprecation: Deprecate record: appears to be a misrepresentation of a polymer

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Cholestagel, Colesevelam hydrochloride

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

LS-74936 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -3.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 3 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





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