7-[3-(Benzylamino)Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 24890-70-8]

Identification

• Name: 7-[3-(Benzylamino)Propyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[3-(Benzylamino)Propyl]-1,3-Dimethyl-Xanthine; 7-(3-(Benzylamino)Propyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₇H₂₁N₅O₂
• Molecular Weight: 327.39
• CAS Registry Number: 24890-70-8
• EINECS: 246-518-2
• SMILES: C2=NC1=C(C(N(C(N1C)=O)C)=O)[N]2CCCNCC3=CC=CC=C3
• InChI: 1S/C17H21N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3
• InChIKey: OVKWXBYMGXFCRZ-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 556.325°C at 760 mmHg (Cal.)
• Flash point: 290.255°C (Cal.)