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Substance Name: Quinolinium, 1-dodecyl-, p-toluenesulfonate
RN: 63680-77-3
InChIKey: GZNVUIHRZNDEDD-UHFFFAOYSA-M

Molecular Formula

  • C21-H32-N.C7-H7-O3-S

Molecular Weight

  • 469.686
 
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Names and Synonyms

Synonym

  • 1-Dodecylquinolinium p-toluenesulfonate

Systematic Name

  • Quinolinium, 1-dodecyl-, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 63680-77-3

System Generated Number

  • 0063680773

Molecular Formulas

Molecular Formula

  • C21-H32-N.C7-H7-O3-S

Molecular Formula Fragments

  • C21-H32-N
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-13-18-22-19-14-16-20-15-11-12-17-21(20)22;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,14-17,19H,2-10,13,18H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

GZNVUIHRZNDEDD-UHFFFAOYSA-M

Smiles

[n+]1(c2c(ccc1)cccc2)CCCCCCCCCCCC.c1c(ccc(c1)S(=O)(=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02517,
mouse LDLo intraperitoneal 3900ug/kg (3.9mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 289, 1953.