8-Chloro-5-(Hydroxymethyl)-N,N-Diethyl-2H-[1]Benzothiopyrano[4,3,2-cd]Indazole-2-Ethan-1-Amine N-Oxide
[CAS# 54484-91-2]

Identification

• Name: 8-Chloro-5-(Hydroxymethyl)-N,N-Diethyl-2H-[1]Benzothiopyrano[4,3,2-cd]Indazole-2-Ethan-1-Amine N-Oxide
• Synonyms: 8-Chloro-5-Hydroxymethylbenzothiopyranoindazole N-Oxide; Brn 1092010; Ia 4 N-Oxide
• Molecular Formula: C₂₀H₂₂ClN₃O₂S
• Molecular Weight: 403.93
• CAS Registry Number: 54484-91-2
• SMILES: C4=C(Cl)C=C3SC1=C(C=CC2=[N+]([N](C(=C12)C3=C4)[O-])CCN(CC)CC)CO
• InChI: 1S/C20H22ClN3O2S/c1-3-22(4-2)9-10-23-16-8-5-13(12-25)20-18(16)19(24(23)26)15-7-6-14(21)11-17(15)27-20/h5-8,11,25H,3-4,9-10,12H2,1-2H3
• InChIKey: UZIZCDFYYXJCMO-UHFFFAOYSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 627.693°C at 760 mmHg (Cal.)
• Flash point: 333.417°C (Cal.)