1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Propanesulphonic Acid
[CAS# 1672-28-2]

Identification

• Name: 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Propanesulphonic Acid
• Synonyms: 3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Propane-1-Sulfonic Acid; 3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Propane-1-Sulfonic Acid; 3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Propane-1-Sulfonic Acid
• Molecular Formula: C₁₀H₁₄N₄O₅S
• Molecular Weight: 302.30
• CAS Registry Number: 1672-28-2
• EINECS: 216-805-7
• SMILES: C1=NC2=C([N]1CCC[S](O)(=O)=O)C(N(C)C(=O)N2C)=O
• InChI: 1S/C10H14N4O5S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h6H,3-5H2,1-2H3,(H,17,18,19)
• InChIKey: RSTSVFVCHWLPHQ-UHFFFAOYSA-N

Properties

• Density: 1.642g/cm³ (Cal.)