Azanium 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate
[CAS# 18641-48-0]

Identification

• Name: Azanium 5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate
• Synonyms: Ammonium 5-[(1,3-Dimethyl-2,4,6-Trioxo-Hexahydropyrimidin-5-Ylidene)Amino]-1,3-Dimethyl-2,6-Dioxo-Pyrimidin-4-Olate; Ammonium 5-[(1,3-Dimethyl-2,4,6-Trioxo-5-Hexahydropyrimidinylidene)Amino]-1,3-Dimethyl-2,6-Dioxo-4-Pyrimidinolate; Ammonium 2,6-Diketo-1,3-Dimethyl-5-[(2,4,6-Triketo-1,3-Dimethyl-Hexahydropyrimidin-5-Ylidene)Amino]Pyrimidin-4-Olate
• Molecular Formula: C₁₂H₁₆N₆O₆
• Molecular Weight: 340.30
• CAS Registry Number: 18641-48-0
• SMILES: CN2C(=C(N=C1C(=O)N(C(=O)N(C1=O)C)C)C(=O)N(C2=O)C)[O-].[NH4+]
• InChI: 1S/C12H13N5O6.H3N/c1-14-7(18)5(8(19)15(2)11(14)22)13-6-9(20)16(3)12(23)17(4)10(6)21;/h18H,1-4H3;1H3
• InChIKey: BBINVVWBDJPLOG-UHFFFAOYSA-N

Properties

• Boiling point: 420.5°C at 760 mmHg (Cal.)
• Flash point: 208.1°C (Cal.)