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Substance Name: 9H-Purin-6-amine, 9-butyl- (9CI)
RN: 2715-70-0
InChIKey: BKXMJMZKKNIYRD-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N5

Molecular Weight

  • 191.237
 
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Names and Synonyms

Synonym

  • NSC 19094

Systematic Name

  • 9H-Purin-6-amine, 9-butyl- (9CI)

Registry Numbers

CAS Registry Number

  • 2715-70-0

System Generated Number

  • 0002715700

Structure Descriptors

InChI

1S/C9H13N5/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h5-6H,2-4H2,1H3,(H2,10,11,12)

InChIKey

BKXMJMZKKNIYRD-UHFFFAOYSA-N

Smiles

n1cnc2n(CCCC)cnc2c1N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.25 (none)   EXP
Water Solubility 4150 mg/L 25 EST
Vapor Pressure 4.48E-07 mm Hg 25 EST
Henry's Law Constant 3.50E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-10 cm3/molecule-sec 25 EST

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