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Adenine

Names Preferred IUPAC name9H-Purin-6-amineOther names 6-AminopurineIdentifiers CAS Number73-24-53D model (JSmol)Interactive imageInteractive imageBeilstein Reference608603 ChEBICHEBI:16708ChEMBLChEMBL226345ChemSpider185DrugBankDB00173ECHA InfoCard100.000.724EC Number200-796-1Gmelin Reference3903 IUPHAR/BPS4788KEGGD00034PubChemCID190RTECS numberAU6125000UNIIJAC85A2161CompTox Dashboard(EPA)DTXSID6022557InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)Key: GFFGJBXGBJISGV-UHFFFAOYSA-NInChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)Key: GFFGJBXGBJISGV-UHFFFAOYATSMILESNC1=NC=NC2=C1N=CN2Nc1c2ncNc2ncn1Properties Chemical formulaC5H5N5Molar mass135.130 g·mol Appearance white to light yellow, crystalline Density1.6 g/cm (calculated) Melting point360 to 365 °C (680 to 689 °F; 633 to 638 K) decomposes Solubility in water0.103 g/100 mL Solubilitynegligible in ethanol, soluble in hot water and/or aqua ammoniaAcidity (pKa) 4.15 (secondary), 9.80 (primary) Thermochemistry Heat capacity(C)147.0 J/(K·mol) Std enthalpy offormation(ΔfH298)96.9 kJ/mol Hazards Lethal dose or concentration (LD, LC): LD50 (median dose)227 mg/kg (rat, oral) Safety data sheet (SDS) MSDSExcept where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).Yverify ( ?)

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