Product Name

  • Name

    hexocyclium metilsulfate

  • EINECS
  • CAS No. 115-63-9
  • Density g/cm3
  • Solubility
  • Melting Point 200-210°
  • Formula C20H33N2O•CH3O4S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 428.65
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 115-63-9 (hexocyclium metilsulfate)
  • Hazard Symbols
  • Synonyms hexocyclium metilsulfate;Hexocyclium;Hexocyclium methosulfate
  • PSA 98.28000
  • LogP 2.91700

Hexocyclium methylsulfate Chemical Properties

Product Name: Hexocyclium methylsulfate (CAS NO.115-63-9)


Molecular Formula: C21H36N2O5S
Molecular Weight: 428.58594g/mol
Mol File: 115-63-9.mol
EINECS: 204-097-2
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of Hexocyclium methylsulfate (CAS NO.115-63-9):
  IUPAC Name: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate
  Canonical SMILES: C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]
  InChI: InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1 
  InChIKey: NSILVESQCSUIAJ-UHFFFAOYSA-M

Hexocyclium methylsulfate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8900ug/kg (8.9mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01104,

Hexocyclium methylsulfate Safety Profile

Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.

Hexocyclium methylsulfate Specification

 Hexocyclium methylsulfate , its CAS NO. is 115-63-9, the synonyms are EINECS 204-097-2 ; Hexacyclium methyl sulfate ; Hexocyclii metilsulfas ; Hexocyclium (VAN) ; Metilsulfate d'hexocyclium  ; Metilsulfato de hexociclo ; N-(beta-Cyclohexyl-beta-hydroxy-beta-phenylethyl)-N'-methylpiperazine dimethylsulfate ; NSC 30256 ; Oxoamyl salicylate ; Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, methyl sulfate (salt) ; Tral ; Traline ; UNII-84OPZ2Q0VB  ; 4-(beta-Cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinum methylsulfate ; Hexocyclium metilsulfate ; Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, methyl sulfate (salt) (9CI) .

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