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Substance Name: 1-Pentyn-3-ol, 1-bromo-3-methyl-, p-aminobenzoate
RN: 100380-45-8
InChIKey: HGMXMZRLNUIVHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Br-N-O2

Molecular Weight

  • 296.1626
 
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Names and Synonyms

Synonyms

  • 4-14-00-01132 (Beilstein Handbook Reference)
  • Benzoic acid, p-amino-, 1-bromo-3-methyl-1-pentyn-3-yl ester
  • BRN 3321252

Systematic Name

  • 1-Pentyn-3-ol, 1-bromo-3-methyl-, p-aminobenzoate

Registry Numbers

CAS Registry Number

  • 100380-45-8

System Generated Number

  • 0100380458

Structure Descriptors

InChI

1S/C13H14BrNO2/c1-3-13(2,8-9-14)17-12(16)10-4-6-11(15)7-5-10/h4-7H,3,15H2,1-2H3

InChIKey

HGMXMZRLNUIVHU-UHFFFAOYSA-N

Smiles

CCC(C)(C#CBr)OC(=O)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1400mg/kg (1400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.