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Substance Name: 2-Aminobenzimidazole
RN: 934-32-7
UNII: E65DE7521V
InChIKey: JWYUFVNJZUSCSM-UHFFFAOYSA-N

Note

  • Metabolite of benomyl.

Molecular Formula

  • C7-H7-N3

Molecular Weight

  • 133.1533
 

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Experimental Pesticide
  • Mutation Data
  • Reproductive Effect
  • Unspecified / Unclassified Pesticide
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Names and Synonyms

Name of Substance

  • 2-Aminobenzimidazole

Synonyms

  • 2-Amino benzimidazole
  • 2-Aminobenzimidazole
  • 2-Iminobenzimidazoline
  • 5-25-10-00372 (Beilstein Handbook Reference)
  • AI3-60094
  • BRN 0116525
  • Caswell No. 033AA
  • CCRIS 4354
  • EINECS 213-280-6
  • NSC 27793
  • NSC 7628
  • UNII-E65DE7521V
  • USAF EK-4037

Systematic Names

  • 1H-Benzimidazol-2-amine
  • 2-Aminobenzimidazole
  • Benzimidazol-2-ylamine
  • Benzimidazole, 2-amino-

Registry Numbers

CAS Registry Number

  • 934-32-7

FDA UNII

  • E65DE7521V

Other Registry Number

  • 144704-99-4

System Generated Number

  • 0000934327

Structure Descriptors

InChI

1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)

InChIKey

JWYUFVNJZUSCSM-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c(n2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD40 oral 600mg/kg (600mg/kg)   Journal of the American Chemical Society. Vol. 67, Pg. 905, 1945.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 126mg/kg (126mg/kg)   "Principles of Medicinal Chemistry," Foye, W.O., et al., eds., Philadelphia, Lea & Febiger, 1974Vol. -, Pg. 246, 1974.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 229-231 deg C   EXP
log P (octanol-water) 0.91 (none)   EXP
Water Solubility 1.49E+04 mg/L 25 EST
Vapor Pressure 2.87E-06 mm Hg 25 EST
Henry's Law Constant 1.30E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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