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Substance Name: Dodecylnicotinamide
RN: 2254-99-1
InChIKey: PQGARWOHYNUSIL-UHFFFAOYSA-N

Molecular Formula

  • C18-H31-N2-O.Cl

Molecular Weight

  • 328.925
 
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Names and Synonyms

Name of Substance

  • Dodecylnicotinamide

Synonym

  • 3-Carbamoyl-1-dodecylpyridinium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2254-99-1

System Generated Number

  • 0002254991

Molecular Formulas

Molecular Formula

  • C18-H31-N2-O.Cl

Molecular Formula Fragments

  • C18-H31-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H32N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21;/h12-13,15-16,20H,2-11,14H2,1H3,(H2,19,21);1H

InChIKey

PQGARWOHYNUSIL-UHFFFAOYSA-N

Smiles

C=1(C(=O)N)C=[N@@H](CCCCCCCCCCCC)C=CC1.Cl

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#03578,
mouse LDLo parenteral 100mg/kg (100mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 693, 1955.