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Substance Name: 4-Hexylaniline
RN: 33228-45-4
UNII: U3C0879ZGC
InChIKey: OVEMTTZEBOCJDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N

Molecular Weight

  • 177.289
 
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Names and Synonyms

Name of Substance

  • 4-Hexylaniline

Synonyms

  • 4-12-00-02868 (Beilstein Handbook Reference)
  • 4-Hexylbenzenamine
  • BRN 2085111
  • EINECS 251-409-8
  • p-Hexylaniline
  • UNII-U3C0879ZGC

Systematic Names

  • 4-Hexylaniline
  • Aniline, (p-hexyl)-
  • Benzenamine, 4-hexyl- (9CI)

Registry Numbers

CAS Registry Number

  • 33228-45-4

FDA UNII

  • U3C0879ZGC

System Generated Number

  • 0033228454

Structure Descriptors

InChI

1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3

InChIKey

OVEMTTZEBOCJDV-UHFFFAOYSA-N

Smiles

c1(ccc(N)cc1)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.