Nicotinic Acid 2-[[2-Hydroxy-3-(3,6-Dihydro-1,3-Dimethyl-2,6-Dioxo-1H-Purin-7(2H)-Yl)Propyl]Methylamino]Ethyl Ester
[CAS# 51920-73-1]

Identification

• Name: Nicotinic Acid 2-[[2-Hydroxy-3-(3,6-Dihydro-1,3-Dimethyl-2,6-Dioxo-1H-Purin-7(2H)-Yl)Propyl]Methylamino]Ethyl Ester
• Synonyms: 2-[[3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-2-Hydroxy-Propyl]-Methyl-Amino]Ethyl Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid 2-[[3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl]-Methylamino]Ethyl Ester; Nicotinic Acid 2-[[3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl]-Methyl-Amino]Ethyl Ester
• Molecular Formula: C₁₉H₂₄N₆O₅
• Molecular Weight: 416.44
• CAS Registry Number: 51920-73-1
• SMILES: C1=NC=CC=C1C(=O)OCCN(C)CC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)O
• InChI: 1S/C19H24N6O5/c1-22(7-8-30-18(28)13-5-4-6-20-9-13)10-14(26)11-25-12-21-16-15(25)17(27)24(3)19(29)23(16)2/h4-6,9,12,14,26H,7-8,10-11H2,1-3H3
• InChIKey: FCWYHNPIADNOEV-UHFFFAOYSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 669.846°C at 760 mmHg (Cal.)
• Flash point: 358.91°C (Cal.)