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Substance Name: 6-N-Hydroxylaminopurine
RN: 5667-20-9
InChIKey: CBCQWVQNMGNYEO-UHFFFAOYSA-N

Classification Codes

  • Mutagens
  • Mutation Data
  • Noxae
  • Reproductive Effect

Molecular Formula

  • C5-H5-N5-O

Molecular Weight

  • 151.1285
 
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Names and Synonyms

Name of Substance

  • 6-N-Hydroxylaminopurine

Synonyms

  • 6-Hydroxyaminopurine
  • 6-Hydroxylaminopurine
  • 6-N-Hydroxylaminopurine
  • AI3-60188
  • CCRIS 2558
  • EINECS 227-125-5
  • HAP
  • HAP (VAN)
  • N(6)-Hydroxyadenine
  • N-Hydroxy-1H-purin-6-amine
  • NSC 516286

Systematic Names

  • 1H-Purin-6-amine, N-hydroxy- (9CI)
  • 6-N-Hydroxylaminopurine
  • Adenine, N-hydroxy-
  • N-Hydroxy-1H-adenine

Registry Numbers

CAS Registry Number

  • 5667-20-9

System Generated Number

  • 0005667209

Structure Descriptors

InChI

1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)

InChIKey

CBCQWVQNMGNYEO-UHFFFAOYSA-N

Smiles

c1[nH]c(c-2ncnc2n1)NO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 470mg/kg (470mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 143, 1966.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   Archives of Pathology. Vol. 86, Pg. 395, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.110 (none)   EST
Water Solubility 602 mg/L 20 EXP
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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