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Substance Name: N(1)-Hexylnicotinamide
RN: 2255-03-0
InChIKey: GMGRLXMEILUBQI-UHFFFAOYSA-N

Molecular Formula

  • C12-H19-N2-O.Cl

Molecular Weight

  • 242.748
 
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Names and Synonyms

Name of Substance

  • N(1)-Hexylnicotinamide

Synonyms

  • 3-Carbamoyl-1-hexylpyridinium chloride
  • N(1)-Hexylnicotinamide chloride
  • Pyridinium, 3-(aminocarbonyl)-1-hexyl-, chloride

Systematic Name

  • Pyridinium, 3-carbamoyl-1-hexyl-, chloride

Registry Numbers

CAS Registry Number

  • 2255-03-0

System Generated Number

  • 0002255030

Molecular Formulas

Molecular Formula

  • C12-H19-N2-O.Cl

Molecular Formula Fragments

  • C12-H19-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O.ClH/c1-2-3-4-5-8-14-9-6-7-11(10-14)12(13)15;/h6-7,9-10H,2-5,8H2,1H3,(H-,13,15);1H

InChIKey

GMGRLXMEILUBQI-UHFFFAOYSA-N

Smiles

c1c(ccc[n+]1CCCCCC)C(=O)N.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03572,