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Substance Name: Adenine [USP:JAN]
RN: 73-24-5
UNII: JAC85A2161
InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

Note

  • A purine base and a fundamental unit of ADENINE NUCLEOTIDES.

Molecular Formula

  • C5-H5-N5

Molecular Weight

  • 135.1295
 

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Vitamin
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Names and Synonyms

Name of Substance

  • Adenine
  • Adenine [USP:JAN]

MeSH Heading

  • Adenine

Synonyms

  • 1,6-Dihydro-6-iminopurine
  • 1H-Purin-6-amine
  • 1H-Purine, 6-amino
  • 3,6-Dihydro-6-iminopurine
  • 6-Amino-1H-purine
  • 6-Amino-3H-purine
  • 6-Amino-7H-purine
  • 6-Amino-9H-purine
  • 6-Aminopurine
  • 9H-Purine, 1,6-dihydro-6-imino-
  • ADE
  • Adenin
  • Adenine
  • Adeninimine
  • AI3-50679
  • CCRIS 2556
  • EINECS 200-796-1
  • Leuco-4
  • NSC 14666
  • Purine, 6-amino-
  • UNII-JAC85A2161
  • USAF CB-18
  • Vitamin B4

Systematic Names

  • 1H-Purin-6-amine
  • 9H-Purin-6-amine
  • Adenine

Registry Numbers

CAS Registry Number

  • 73-24-5

FDA UNII

  • JAC85A2161

Other Registry Numbers

  • 1000264-10-7
  • 22051-90-7
  • 42911-33-1
  • 42911-34-2
  • 520-75-2
  • 66224-65-5
  • 71660-29-2
  • 71660-30-5

System Generated Number

  • 0000073245

Structure Descriptors

InChI

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

InChIKey

GFFGJBXGBJISGV-UHFFFAOYSA-N

Smiles

c12c(nc[nH]c1N)ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous > 30mg/kg (30mg/kg)   Drugs in Japan Vol. 6, Pg. 20, 1982.
mouse LD50 oral 783mg/kg (783mg/kg)   Drugs in Japan Vol. 6, Pg. 19, 1982.
mouse LDLo subcutaneous 1gm/kg (1000mg/kg)   Annals of the New York Academy of Sciences. Vol. 60, Pg. 251, 1954.
rat LD50 intraperitoneal 198mg/kg (198mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 20, 1952.
rat LD50 oral 227mg/kg (227mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS
Toxicology and Applied Pharmacology. Vol. 47, Pg. 229, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 360 dec deg C   EXP
pKa Dissociation Constant 4.15 (none) 25 EXP
log P (octanol-water) -0.09 (none)   EXP
Water Solubility 1030 mg/L 25 EXP
Vapor Pressure 8.38E-07 mm Hg 25 EST
Henry's Law Constant 7.02E-14 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.