7-[4-(Ethoxycarbonyl)Piperazin-1-Yl]-4-Nitrobenzofurazane 1-Oxide
[CAS# 61785-56-6]

Identification

• Name: 7-[4-(Ethoxycarbonyl)Piperazin-1-Yl]-4-Nitrobenzofurazane 1-Oxide
• Synonyms: 4-(4-Nitro-1-Oxido-2,1,3-Benzoxadiazol-1-Ium-7-Yl)-1-Piperazinecarboxylic Acid Ethyl Ester; 4-(7-Nitro-3-Oxido-Benzofurazan-3-Ium-4-Yl)Piperazine-1-Carboxylic Acid Ethyl Ester; 1-Piperazinecarboxylic Acid, 4-(7-Nitro-4-Benzofurazanyl)-, Ethyl Ester, N-Oxide
• Molecular Formula: C₁₃H₁₅N₅O₆
• Molecular Weight: 337.29
• CAS Registry Number: 61785-56-6
• SMILES: C2=C(C1=NO[N+](=C1C(=C2)N3CCN(C(=O)OCC)CC3)[O-])[N+]([O-])=O
• InChI: 1S/C13H15N5O6/c1-2-23-13(19)16-7-5-15(6-8-16)10-4-3-9(17(20)21)11-12(10)18(22)24-14-11/h3-4H,2,5-8H2,1H3
• InChIKey: WEKPPFGPFSTMIB-UHFFFAOYSA-N

Properties

• Density: 1.641g/cm³ (Cal.)
• Boiling point: 558.278°C at 760 mmHg (Cal.)
• Flash point: 291.436°C (Cal.)