7-(2-(Ethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
[CAS# 80296-67-9]

Identification

• Name: 7-(2-(Ethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
• Synonyms: 8-(Benzyl)-7-(2-Ethylaminoethyl)-1,3-Dimethyl-Xanthine; Ac 119; Ac-119
• Molecular Formula: C₁₈H₂₃N₅O₂
• Molecular Weight: 341.41
• CAS Registry Number: 80296-67-9
• SMILES: C1=CC=CC=C1CC2=NC3=C([N]2CCNCC)C(N(C)C(N3C)=O)=O
• InChI: 1S/C18H23N5O2/c1-4-19-10-11-23-14(12-13-8-6-5-7-9-13)20-16-15(23)17(24)22(3)18(25)21(16)2/h5-9,19H,4,10-12H2,1-3H3
• InChIKey: DWVLBZMSEOBQDH-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 565.615°C at 760 mmHg (Cal.)
• Flash point: 295.873°C (Cal.)