2-Amino-4-Oxo-6-Acetyl-7,8-Dihydro-3H,9H-Pyrimidodiazepine
[CAS# 80003-63-0]

Identification

• Name: 2-Amino-4-Oxo-6-Acetyl-7,8-Dihydro-3H,9H-Pyrimidodiazepine
• Synonyms: 2-Amino-6-Ethanoyl-1,7,8,9-Tetrahydropyrimido[6,5-B][1,4]Diazepin-4-One; C02587; 2-Amino-4-Oxo-6-Acetyl-7,8-Dihydro-3H,9H-Pyrimidodiazepine
• Molecular Formula: C₉H₁₁N₅O₂
• Molecular Weight: 221.22
• CAS Registry Number: 80003-63-0
• SMILES: CC(C1=NC2=C(NCC1)NC(=NC2=O)N)=O
• InChI: 1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
• InChIKey: XEAAIJWYCBLWNK-UHFFFAOYSA-N

Properties

• Density: 1.704g/cm³ (Cal.)
• Boiling point: 402.701°C at 760 mmHg (Cal.)
• Flash point: 197.347°C (Cal.)