6-(Acridin-9-Ylamino)Hexyl 4-Nitrobenzoate Hydrate Hydrochloride
[CAS# 140866-77-9]

Identification

• Name: 6-(Acridin-9-Ylamino)Hexyl 4-Nitrobenzoate Hydrate Hydrochloride
• Synonyms: 4-Nitrobenzoic Acid 6-(9-Acridinylamino)Hexyl Ester Hydrate Hydrochloride; 4-Nitrobenzoic Acid 6-(Acridin-9-Ylamino)Hexyl Ester Hydrate Hydrochloride; 1-Hexanol, 6-(9-Acridinylamino)-, 4-Nitrobenzoate (Ester), Monohydrochloride, Monohydrate
• Molecular Formula: C₂₆H₂₈ClN₃O₅
• Molecular Weight: 497.98
• CAS Registry Number: 140866-77-9
• SMILES: [H+].C2=CC=CC3=NC1=C(C=CC=C1)C(=C23)NCCCCCCOC(C4=CC=C(C=C4)[N+](=O)[O-])=O.[Cl-].O
• InChI: 1S/C26H25N3O4.ClH.H2O/c30-26(19-13-15-20(16-14-19)29(31)32)33-18-8-2-1-7-17-27-25-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)25;;/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,28);1H;1H2
• InChIKey: UQMUBMVZGWTUPJ-UHFFFAOYSA-N

Properties

• Boiling point: 672.1°C at 760 mmHg (Cal.)
• Flash point: 360.2°C (Cal.)