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Substance Name: Benzoxazol-2-amine
RN: 4570-41-6
InChIKey: JPBLHOJFMBOCAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2-O

Molecular Weight

  • 134.137
 
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Names and Synonyms

Synonyms

  • 2-Aminobenzoxazole
  • AI3-63115
  • EINECS 224-952-3
  • NSC 26184

Systematic Names

  • Benzoxazol-2-amine
  • Benzoxazole, 2-amino-

Registry Numbers

CAS Registry Number

  • 4570-41-6

System Generated Number

  • 0004570416

Structure Descriptors

InChI

1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

InChIKey

JPBLHOJFMBOCAF-UHFFFAOYSA-N

Smiles

c12c(oc(n1)N)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 392mg/kg (392mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964.
mouse LD50 intravenous 238mg/kg (238mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
mouse LD50 oral 678mg/kg (678mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964.
rat LD50 intraperitoneal 275mg/kg (275mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964.
rat LD50 oral 600mg/kg (600mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 336, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.53 (none)   EXP
Water Solubility 4370 mg/L 25 EST
Vapor Pressure 2.86E-03 mm Hg 25 EST
Henry's Law Constant 2.43E-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.