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Substance Name: 1-Heptanone, 1-(4-pyridyl)-
RN: 32941-30-3
InChIKey: MLBWTXHUVGBPNL-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O

Molecular Weight

  • 191.272
 
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Names and Synonyms

Synonyms

  • 1-(4-Pyridyl)-1-heptanone
  • 4-Heptanoylpyridine
  • 5-21-07-00467 (Beilstein Handbook Reference)
  • BRN 0129581
  • Heptyl 4-pyridyl ketone
  • Ketone, heptyl 4-pyridyl
  • Pyridine, 4-heptanoyl-

Systematic Name

  • 1-Heptanone, 1-(4-pyridyl)-

Registry Numbers

CAS Registry Number

  • 32941-30-3

System Generated Number

  • 0032941303

Structure Descriptors

InChI

1S/C12H17NO/c1-2-3-4-5-6-12(14)11-7-9-13-10-8-11/h7-10H,2-6H2,1H3

InChIKey

MLBWTXHUVGBPNL-UHFFFAOYSA-N

Smiles

c1(C(CCCCCC)=O)ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 345mg/kg (345mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.