8-(Benzylamino)-7-(3-Dimethylamino-2-Hydroxypropyl)-1,3-Dimethylpurine-2,6-Dione Hydrochloride
[CAS# 78721-04-7]

Identification

• Name: 8-(Benzylamino)-7-(3-Dimethylamino-2-Hydroxypropyl)-1,3-Dimethylpurine-2,6-Dione Hydrochloride
• Synonyms: 8-(Benzylamino)-7-(3-Dimethylamino-2-Hydroxy-Propyl)-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 8-(Benzylamino)-7-(3-Dimethylamino-2-Hydroxy-Propyl)-1,3-Dimethyl-Xanthine Hydrochloride; 7-(3-Dimethylamino-2-Hydroxy-Propyl)-1,3-Dimethyl-8-(Phenylmethylamino)Purine-2,6-Dione Hydrochloride
• Molecular Formula: C₁₉H₂₇ClN₆O₃
• Molecular Weight: 422.91
• CAS Registry Number: 78721-04-7
• SMILES: [H+].C3=C(CNC1=NC2=C([N]1CC(O)CN(C)C)C(=O)N(C(=O)N2C)C)C=CC=C3.[Cl-]
• InChI: 1S/C19H26N6O3.ClH/c1-22(2)11-14(26)12-25-15-16(23(3)19(28)24(4)17(15)27)21-18(25)20-10-13-8-6-5-7-9-13;/h5-9,14,26H,10-12H2,1-4H3,(H,20,21);1H
• InChIKey: UEOXELDRXQEZCT-UHFFFAOYSA-N

Properties

• Boiling point: 613.2°C at 760 mmHg (Cal.)
• Flash point: 324.6°C (Cal.)