7-(2-Aminoethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
[CAS# 80296-68-0]

Identification

• Name: 7-(2-Aminoethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
• Synonyms: 7-(2-Aminoethyl)-8-(Benzyl)-1,3-Dimethyl-Xanthine; Ac-155; 1H-Purine-2,6-Dione, 7-(2-Aminoethyl)-3,7-Dihydro-1,3-Dimethyl-8-(Phenylmethyl)-
• Molecular Formula: C₁₆H₁₉N₅O₂
• Molecular Weight: 313.36
• CAS Registry Number: 80296-68-0
• SMILES: C1=CC=CC=C1CC2=NC3=C([N]2CCN)C(N(C(N3C)=O)C)=O
• InChI: 1S/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(9-8-17)12(18-14)10-11-6-4-3-5-7-11/h3-7H,8-10,17H2,1-2H3
• InChIKey: RBFZLGAFXRJECP-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 562.67°C at 760 mmHg (Cal.)
• Flash point: 294.092°C (Cal.)