(9S)-9-Hydroxy-6'-methoxycinchonan-1-ium nitrite
[CAS# 85135-83-7]

Identification

• Name: (9S)-9-Hydroxy-6'-methoxycinchonan-1-ium nitrite
• Synonyms: (9S)-9-hydroxy-6'-methoxycinchonanium nitrite
• Molecular Formula: C₂₀H₂₅N₃O₄
• Molecular Weight: 371.43
• CAS Registry Number: 85135-83-7
• EINECS: 285-704-8
• SMILES: [O-]N=O.C=C[C@H]4C[N@@H+]1CC[C@H]4C[C@@H]1[C@@H](O)c2ccnc3ccc(cc23)OC
• InChI: 1S/C20H24N2O2.HNO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,2,3)/t13-,14-,19+,20-;/m0./s1
• InChIKey: IGBWEAYXACATJW-VJAUXQICSA-N

Properties

• Boiling point: 573.8°C at 760 mmHg (Cal.)
• Flash point: 300.9°C (Cal.)