9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester

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Product Description

Product9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester
CAS101103-22-4
FormulaC15H14ClN5O2
SynonymEthyl 9-[6-p-chloroanilino]purineacetate, 9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester

Typical Product Specifications

Molecular weight331.76
InChI1S/C15H14ClN5O2/c1-2-23-12(22)7-21-9-19-13-14(17-8-18-15(13)21)20-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3,(H,17,18,20)
Molecular weight275.52
EINECS202-910-5
SMILESc1(Nc2c(cccc2)Cl)nc(nc(n1)Cl)Cl
InChI1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
log P (octanol-water)3.88
Water solubility8 mg/L
Atmospheric OH Rate Constant4.28E-11 cm3/molecule-sec
Vapor Pressure6.20E-09 mm Hg
Henry's Law Constant2.81E-10 atm-m3/mole
Melting Point160 ° C
ClassSpecialty Chemicals
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