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Substance Name: Acetic acid, chloro-, compd. with 1-dodecanamine (1:1)
RN: 78961-20-3
InChIKey: LCZIQCSYIXULBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N.C2-H3-Cl-O2

Molecular Weight

  • 279.849
 
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Names and Synonyms

Synonyms

  • Dodecylamine, chloroacetate
  • Dodecylammonium chloracetate

Systematic Name

  • Acetic acid, chloro-, compd. with 1-dodecanamine (1:1)

Registry Numbers

CAS Registry Number

  • 78961-20-3

System Generated Number

  • 0078961203

Molecular Formulas

Molecular Formula

  • C12-H27-N.C2-H3-Cl-O2

Molecular Formula Fragments

  • C12-H27-N
  • C2-H3-Cl-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H27N.C2H3ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2(4)5/h2-13H2,1H3;1H2,(H,4,5)

InChIKey

LCZIQCSYIXULBD-UHFFFAOYSA-N

Smiles

C(CCl)(=O)[O-].C(CCCCCC)CCCCC[NH3+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, IRRITATIVE: AFTER SYSTEMIC EXPOSURE" Pharmaceutical Chemistry Journal Vol. 15, Pg. 383, 1981.