Nicotinic Acid Compound With 3,7-Dihydro-1,3-Dimethyl-7-[2-[(3-Pyridylmethyl)Amino]Ethyl]-1H-Purine-2,6-Dione (1:1)
[CAS# 10058-07-8]

Identification

• Name: Nicotinic Acid Compound With 3,7-Dihydro-1,3-Dimethyl-7-[2-[(3-Pyridylmethyl)Amino]Ethyl]-1H-Purine-2,6-Dione (1:1)
• Synonyms: 1,3-Dimethyl-7-[2-(3-Pyridylmethylamino)Ethyl]Purine-2,6-Dione; Nicotinic Acid; 1,3-Dimethyl-7-[2-(3-Pyridylmethylamino)Ethyl]Xanthine; Nicotinic Acid; Es 902
• Molecular Formula: C₂₁H₂₃N₇O₄
• Molecular Weight: 437.46
• CAS Registry Number: 10058-07-8
• EINECS: 233-185-3
• SMILES: C1=NC3=C([N]1CCNCC2=CC=CN=C2)C(=O)N(C(=O)N3C)C.C4=NC=CC=C4C(=O)O
• InChI: 1S/C15H18N6O2.C6H5NO2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11;8-6(9)5-2-1-3-7-4-5/h3-5,8,10,17H,6-7,9H2,1-2H3;1-4H,(H,8,9)
• InChIKey: DOWFKBHYDXGGML-UHFFFAOYSA-N

Properties

• Boiling point: 575.6°C at 760 mmHg (Cal.)
• Flash point: 301.9°C (Cal.)