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Substance Name: 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol
RN: 52535-35-0
UNII: JP42VDV0WD
InChIKey: KJJAFWJUOBJLAZ-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O

Molecular Weight

  • 175.23
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol

Synonyms

  • 2-Methyl-4-(6-methyl-3-pyridyl)-3-butyne-2-ol
  • 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-
  • 5-21-03-00075 (Beilstein Handbook Reference)
  • BRN 1424451
  • NSC 220264
  • UNII-JP42VDV0WD

Systematic Names

  • 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridinyl)- (9CI)
  • 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-

Registry Numbers

CAS Registry Number

  • 52535-35-0

FDA UNII

  • JP42VDV0WD

System Generated Number

  • 0052535350

Structure Descriptors

InChI

1S/C11H13NO/c1-9-4-5-10(8-12-9)6-7-11(2,3)13/h4-5,8,13H,1-3H3

InChIKey

KJJAFWJUOBJLAZ-UHFFFAOYSA-N

Smiles

C(#Cc1cnc(cc1)C)C(O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00969,