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Substance Name: 2-Aminopurine
RN: 452-06-2
UNII: O14B3U97FW
InChIKey: MWBWWFOAEOYUST-UHFFFAOYSA-N

Note

  • A purine that is an isomer of ADENINE (6-aminopurine).

Molecular Formula

  • C5-H5-N5

Molecular Weight

  • 135.1295
 

Classification Codes

  • Antimetabolites
  • Drug / Therapeutic Agent
  • Mutation Data
  • Noxae
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Names and Synonyms

Name of Substance

  • 2-Aminopurine

MeSH Heading

  • 2-Aminopurine

Synonyms

  • 1H-Purin-2-amine
  • 2-Aminopurine
  • CCRIS 759
  • EINECS 207-197-4
  • Isoadenine
  • NSC 24129
  • SQ 22451
  • UNII-O14B3U97FW

Systematic Names

  • 1H-Purin-2-amine
  • 2-Aminopurine
  • Purine, 2-amino-

Registry Numbers

CAS Registry Number

  • 452-06-2

FDA UNII

  • O14B3U97FW

Other Registry Numbers

  • 15041-92-6
  • 42911-31-9
  • 42911-32-0
  • 553-81-1

System Generated Number

  • 0000452062

Structure Descriptors

InChI

1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)

InChIKey

MWBWWFOAEOYUST-UHFFFAOYSA-N

Smiles

c12c(nc(N)[nH]c2)ncn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 270mg/kg (270mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,
rat LD50 oral 723mg/kg (723mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.880 (none)   EST
Water Solubility 8330 mg/L 20 EXP
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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