3,7,7-Trimethyl-4,8-Dihydro-2H-Pyrazolo[4,3-d][1,3]Oxazepin-5-One
[CAS# 72499-52-6]

Identification

• Name: 3,7,7-Trimethyl-4,8-Dihydro-2H-Pyrazolo[4,3-d][1,3]Oxazepin-5-One
• Synonyms: 3,7,7-Trimethyl-1,4,7,8-Tetrahydro-5H-Pyrazolo(4,3-D)(1,3)Oxazepin-5-One; Nsc 345654; 3,7,7-Trimethyl-1,4,7,8-Tetrahydro-5H-Pyrazolo[4,3-D][1,3]Oxazepin-5-One
• Molecular Formula: C₉H₁₃N₃O₂
• Molecular Weight: 195.22
• CAS Registry Number: 72499-52-6
• SMILES: CC2(OC(=O)NC1=C([NH]N=C1C2)C)C
• InChI: 1S/C9H13N3O2/c1-5-7-6(12-11-5)4-9(2,3)14-8(13)10-7/h4H2,1-3H3,(H,10,13)(H,11,12)
• InChIKey: WDDQQKDROQENFZ-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 300.988°C at 760 mmHg (Cal.)
• Flash point: 135.833°C (Cal.)