8-Methyl-3-(2-Nitro-5-Thienylcarbonyl)-3,8-Diazabicyclo[3.2.1]Octane
[CAS# 57269-28-0]

Identification

• Name: 8-Methyl-3-(2-Nitro-5-Thienylcarbonyl)-3,8-Diazabicyclo[3.2.1]Octane
• Synonyms: (6-Methyl-4,6-Diazabicyclo[3.2.1]Octan-4-Yl)-(5-Nitro-2-Thienyl)Methanone; 8-Methyl-3-(2'-Nitrothien-5'-Yl)Carbonyl-3,8-Diazabicyclo(3.2.1)Octane; Brn 0558337
• Molecular Formula: C₁₂H₁₅N₃O₃S
• Molecular Weight: 281.33
• CAS Registry Number: 57269-28-0
• SMILES: C1=C(SC(=C1)[N+]([O-])=O)C(=O)N3C2N(CC(C2)CC3)C
• InChI: 1S/C12H15N3O3S/c1-13-7-8-4-5-14(10(13)6-8)12(16)9-2-3-11(19-9)15(17)18/h2-3,8,10H,4-7H2,1H3
• InChIKey: TYILFKWCXBXXQZ-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 448.763°C at 760 mmHg (Cal.)
• Flash point: 225.204°C (Cal.)