2-(Hexahydro-1H-azepin-1-yl)ethyl 2-((hexyloxy)methyl)carbanilate hydrochloride
[CAS# 80171-85-3]

Identification

• Name: 2-(Hexahydro-1H-azepin-1-yl)ethyl 2-((hexyloxy)methyl)carbanilate hydrochloride
• Synonyms: N-[2-(Hexoxymethyl)Phenyl]Carbamic Acid 2-(1-Azepan-1-Iumyl)Ethyl Ester Chloride; N-[2-(Hexoxymethyl)Phenyl]Carbamic Acid 2-(Azepan-1-Ium-1-Yl)Ethyl Ester Chloride; Carbanilic Acid, O-((Hexyloxy)Methyl)-, 2-(Hexahydro-1H-Azepin-1-Yl)Ethyl Ester,
• Molecular Formula: C₂₂H₃₇ClN₂O₃
• Molecular Weight: 413.00
• CAS Registry Number: 80171-85-3
• SMILES: C2=C(NC(OCC[NH+]1CCCCCC1)=O)C(=CC=C2)COCCCCCC.[Cl-]
• InChI: 1S/C22H36N2O3.ClH/c1-2-3-4-11-17-26-19-20-12-7-8-13-21(20)23-22(25)27-18-16-24-14-9-5-6-10-15-24;/h7-8,12-13H,2-6,9-11,14-19H2,1H3,(H,23,25);1H
• InChIKey: GWWPWHXCAYLDPK-UHFFFAOYSA-N

Properties

• Boiling point: 461.5°C at 760 mmHg (Cal.)
• Flash point: 232.9°C (Cal.)