8-(Benzylamino)-7-[3-(Benzylamino)-2-Hydroxypropyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
[CAS# 78721-09-2]

Identification

• Name: 8-(Benzylamino)-7-[3-(Benzylamino)-2-Hydroxypropyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
• Synonyms: 8-(Benzylamino)-7-[3-(Benzylamino)-2-Hydroxy-Propyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 8-(Benzylamino)-7-[3-(Benzylamino)-2-Hydroxy-Propyl]-1,3-Dimethyl-Xanthine Hydrochloride; 7-[2-Hydroxy-3-(Phenylmethylamino)Propyl]-1,3-Dimethyl-8-(Phenylmethylamino)Purine-2,6-Dione Hydrochloride
• Molecular Formula: C₂₄H₂₉ClN₆O₃
• Molecular Weight: 484.98
• CAS Registry Number: 78721-09-2
• SMILES: [H+].C4=C(CNC1=NC3=C([N]1CC(O)CNCC2=CC=CC=C2)C(=O)N(C(=O)N3C)C)C=CC=C4.[Cl-]
• InChI: 1S/C24H28N6O3.ClH/c1-28-21-20(22(32)29(2)24(28)33)30(23(27-21)26-14-18-11-7-4-8-12-18)16-19(31)15-25-13-17-9-5-3-6-10-17;/h3-12,19,25,31H,13-16H2,1-2H3,(H,26,27);1H
• InChIKey: QBJGUKLLLTWTNY-UHFFFAOYSA-N

Properties

• Boiling point: 697.4°C at 760 mmHg (Cal.)
• Flash point: 375.6°C (Cal.)