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Substance Name: Ammonium, (2-hydroxy-3-chloropropyl)octadecyldimethyl-, chloride
RN: 3001-63-6
InChIKey: QIKIJFUVHGOQOK-UHFFFAOYSA-M

Molecular Formula

  • C23-H49-Cl-N-O.Cl

Molecular Weight

  • 426.552
 
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Names and Synonyms

Synonyms

  • EINECS 221-083-1
  • N,N-Dimethyl-n-octadecyl(2-hydroxy-3-chloropropyl) ammonium chloride

Systematic Names

  • (3-Chloro-2-hydroxypropyl)dimethyloctadecylammonium chloride
  • Ammonium, (2-hydroxy-3-chloropropyl)octadecyldimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 3001-63-6

System Generated Number

  • 0003001636

Molecular Formulas

Molecular Formula

  • C23-H49-Cl-N-O.Cl

Molecular Formula Fragments

  • C23-H49-Cl-N-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H49ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24;/h23,26H,4-22H2,1-3H3;1H/q+1;/p-1

InChIKey

QIKIJFUVHGOQOK-UHFFFAOYSA-M

Smiles

[N+](C[C@@H](O)CCl)(CCCCCCCCCCCCCCCCCC)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2590mg/kg (2590mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.