(5aR,8aR)-5a-Amino-7-methyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 3,6-dioxide
[CAS# 302776-79-0]

Identification

• Name: (5aR,8aR)-5a-Amino-7-methyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 3,6-dioxide
• Synonyms: (5aR,8aR)-5a-amino-8a-hydroxy-7-methyl-5,5a,8,8a-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole 3,6-dioxide
• Molecular Formula: C₉H₁₂N₄O₄
• Molecular Weight: 240.22
• CAS Registry Number: 302776-79-0
• SMILES: [O-]\[N+]2=C(/C)C[C@@]3(O)c1no[n+]([O-])c1CC[C@@]23N
• InChI: 1S/C9H12N4O4/c1-5-4-8(14)7-6(13(16)17-11-7)2-3-9(8,10)12(5)15/h14H,2-4,10H2,1H3/t8-,9-/m1/s1
• InChIKey: WALVBICTBBHOJN-RKDXNWHRSA-N

Properties

• Density: 1.948g/cm³ (Cal.)
• Boiling point: 511.491°C at 760 mmHg (Cal.)
• Flash point: 263.14°C (Cal.)
• Refractive index: 1.829 (Cal.)