7-[2-(Benzylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 22680-61-1]

Identification

• Name: 7-[2-(Benzylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[2-(Benzylamino)Ethyl]-1,3-Dimethyl-Xanthine; 7-(2-(Benzylamino)Ethyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₆H₁₉N₅O₂
• Molecular Weight: 313.36
• CAS Registry Number: 22680-61-1
• EINECS: 245-155-7
• SMILES: C1=NC3=C([N]1CCNCC2=CC=CC=C2)C(N(C)C(=O)N3C)=O
• InChI: 1S/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3
• InChIKey: YYJAAIPVBNSAGS-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 546.494°C at 760 mmHg (Cal.)
• Flash point: 284.31°C (Cal.)