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Substance Name: Benzenemethanamine, N-2-propynyl-, hydrobromide
RN: 16731-59-2
InChIKey: JFMHWOCZBDVQOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N.Br-H

Molecular Weight

  • 226.116
 
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Names and Synonyms

Synonyms

  • Benzylpropargylamine hydrobromide
  • N-2-Propynylbenzenemethanamine hydrobromide
  • N-2-Propynylbenzylamine hydrobromide
  • Propargylbenzylammonium bromide
  • VUFB-10694

Systematic Names

  • Benzenemethanamine, N-2-propynyl-, hydrobromide
  • Benzylamine, N-2-propynyl-, hydrobromide (8CI)

Registry Numbers

CAS Registry Number

  • 16731-59-2

System Generated Number

  • 0016731592

Molecular Formulas

Molecular Formula

  • C10-H11-N.Br-H

Molecular Formula Fragments

  • Br-H
  • C10-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C10H11N.BrH/c1-2-8-11-9-10-6-4-3-5-7-10;/h1,3-7,11H,8-9H2;1H

InChIKey

JFMHWOCZBDVQOJ-UHFFFAOYSA-N

Smiles

c1(ccccc1)CNCC#C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 82500ug/kg (82.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 970, 1978.