7-(3-Aminopropyl)-1,3-Dimethyl-8-(Pyridin-3-Ylmethyl)Purine-2,6-Dione Hydrochloride
[CAS# 30825-03-7]

Identification

• Name: 7-(3-Aminopropyl)-1,3-Dimethyl-8-(Pyridin-3-Ylmethyl)Purine-2,6-Dione Hydrochloride
• Synonyms: 7-(3-Aminopropyl)-1,3-Dimethyl-8-(3-Pyridylmethyl)Purine-2,6-Dione Hydrochloride; 7-(3-Aminopropyl)-1,3-Dimethyl-8-(3-Pyridylmethyl)Xanthine Hydrochloride; 7-(3-Aminopropyl)-8-(3-Pyridylmethyl)Theophylline Hydrochloride
• Molecular Formula: C₁₆H₂₁ClN₆O₂
• Molecular Weight: 364.83
• CAS Registry Number: 30825-03-7
• SMILES: [H+].C1=NC=CC=C1CC2=NC3=C([N]2CCCN)C(=O)N(C(=O)N3C)C.[Cl-]
• InChI: 1S/C16H20N6O2.ClH/c1-20-14-13(15(23)21(2)16(20)24)22(8-4-6-17)12(19-14)9-11-5-3-7-18-10-11;/h3,5,7,10H,4,6,8-9,17H2,1-2H3;1H
• InChIKey: SMLUIXANJJUOPI-UHFFFAOYSA-N

Properties

• Boiling point: 598.7°C at 760 mmHg (Cal.)
• Flash point: 315.9°C (Cal.)