Potassium 4-[3-(6-Oxo-3H-Purin-9-Yl)Propylamino]Benzoate
[CAS# 192564-13-9]

Identification

• Name: Potassium 4-[3-(6-Oxo-3H-Purin-9-Yl)Propylamino]Benzoate
• Synonyms: Ait 082 Potassium; Benzoic Acid, 4-((3-(1,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-1-Oxopropyl)Amino)-, Monopotassium Salt; Potassium 4-[3-(6-Keto-3H-Purin-9-Yl)Propylamino]Benzoate
• Molecular Formula: C₁₅H₁₄KN₅O₃
• Molecular Weight: 351.41
• CAS Registry Number: 192564-13-9
• SMILES: C1=NC3=C([N]1CCCNC2=CC=C(C=C2)C([O-])=O)NC=NC3=O.[K+]
• InChI: 1S/C15H15N5O3.K/c21-14-12-13(17-8-18-14)20(9-19-12)7-1-6-16-11-4-2-10(3-5-11)15(22)23;/h2-5,8-9,16H,1,6-7H2,(H,22,23)(H,17,18,21);/q;+1/p-1
• InChIKey: UQELTGOTGXJSMX-UHFFFAOYSA-M

Properties

• Boiling point: 694°C at 760 mmHg (Cal.)
• Flash point: 373.5°C (Cal.)