1,4,5,6,7,8-Hexahydro-3H-[1,2]Oxazolo[3,4-d]Azepin-3-One
[CAS# 52196-99-3]

Identification

• Name: 1,4,5,6,7,8-Hexahydro-3H-[1,2]Oxazolo[3,4-d]Azepin-3-One
• Synonyms: 4H-Isoxazolo(3,4-d)azepin-3-ol, 5,6,7,8-tetrahydro-; 5,6,7,8-tetrahydro-1H-isoxazolo[3,4-d]azepin-3(4H)-one; Isothaz
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.17
• CAS Registry Number: 52196-99-3
• SMILES: O=C\1ON/C2=C/1CCNCC2
• InChI: 1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8-9H,1-4H2
• InChIKey: HJYDVFJJXSVJQI-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 266.799°C at 760 mmHg (Cal.)
• Flash point: 115.156°C (Cal.)