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Substance Name: Acetimidoquinone
RN: 50700-49-7
UNII: G6S9BN13TI
InChIKey: URNSECGXFRDEDC-UHFFFAOYSA-N

Note

  • Reactive arylating intermediate from acetaminophen & N-hydroxyacetaminophen.

Molecular Formula

  • C8-H7-N-O2

Molecular Weight

  • 149.148
 
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Names and Synonyms

Name of Substance

  • Acetimidoquinone
  • N-Acetyl-4-benzoquinoneimine

Synonyms

  • 2,5-Cyclohexadien-1-one, 4-acetylimino-
  • Acetimidoquinone
  • BRN 2435621
  • CCRIS 5789
  • N-(4-Oxo-2,5-cyclohexadien-1-ylidene)acetamide
  • N-(4-Oxo-2,5-cyclohexadienylidene)acetamide
  • N-Acetyl-4-benzoquinoneimine
  • N-Acetyl-p-benzoquinone imine
  • N-Acetyl-P-benzoquinoneimine
  • N-Acetyl-p-quinonimine
  • Napqi
  • UNII-G6S9BN13TI

Systematic Names

  • Acetamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
  • N-Acetyl-p-benzoquinone

Registry Numbers

CAS Registry Number

  • 50700-49-7

FDA UNII

  • G6S9BN13TI

System Generated Number

  • 0050700497

Structure Descriptors

InChI

1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3

InChIKey

URNSECGXFRDEDC-UHFFFAOYSA-N

Smiles

C1(\C=CC(=O)C=C1)=N/C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg) BLOOD: CHANGE IN CLOTTING FACTORS Journal of Medicinal Chemistry. Vol. 25, Pg. 885, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74.5 deg C   EXP
log P (octanol-water) 0.450 (none)   EST
Atmospheric OH Rate Constant 2.27E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.