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Substance Name: Phenol, o-(N-(hexahydro-1H-azepin-1-yl)formimidoyl)-
RN: 16987-32-9
InChIKey: CEMKEHGRUBOXAS-SDNWHVSQSA-N

Molecular Formula

  • C13-H18-N2-O

Molecular Weight

  • 218.298
 
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Names and Synonyms

Synonyms

  • 5-20-04-00061 (Beilstein Handbook Reference)
  • BRN 1569671
  • NSC 81996
  • o-(N-(Hexahydro-1H-azepin-1-yl)formimidoyl)phenol
  • o-(N-(Hexahydro-1H-azepin-1-yl)forminidoyl)phenol
  • Phenol, o-(N-(hexahydro-1H-azepin-1-yl)forminidoyl)-

Systematic Name

  • Phenol, o-(N-(hexahydro-1H-azepin-1-yl)formimidoyl)-

Registry Numbers

CAS Registry Number

  • 16987-32-9

System Generated Number

  • 0016987329

Structure Descriptors

InChI

1S/C13H18N2O/c16-13-8-4-3-7-12(13)11-14-15-9-5-1-2-6-10-15/h3-4,7-8,11,16H,1-2,5-6,9-10H2/b14-11+

InChIKey

CEMKEHGRUBOXAS-SDNWHVSQSA-N

Smiles

N(\N1CCCCCC1)=C\c1c(O)cccc1

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#02481,