(5aR,9aR,9bR)-3,4,5,5a,9a,9b-Hexahydro-1-oxa-2-azabenzo[cd]azulene
[CAS# 831171-82-5]

Identification

• Name: (5aR,9aR,9bR)-3,4,5,5a,9a,9b-Hexahydro-1-oxa-2-azabenzo[cd]azulene
• Synonyms: (2a1R,5aR,9aR)-2a1,3,4,5,5a,9a-hexahydro-1-oxa-2-azabenzo[cd]azulene
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• CAS Registry Number: 831171-82-5
• SMILES: C1C[C@@H]2C=CC=C[C@@H]3[C@H]2C(=NO3)C1
• InChI: 1S/C11H13NO/c1-2-7-10-11-8(4-1)5-3-6-9(11)12-13-10/h1-2,4,7-8,10-11H,3,5-6H2/t8-,10+,11+/m0/s1
• InChIKey: NYTGMYXPJXQPNH-JMJZKYOTSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 276.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 100.4±22.6°C (Cal.)
• Refractive index: 1.662 (Cal.)