2-(1-Azoniacyclohept-1-Yl)Ethyl N-[2-(Butoxymethyl)Phenyl]Carbamate Chloride
[CAS# 80171-83-1]

Identification

• Name: 2-(1-Azoniacyclohept-1-Yl)Ethyl N-[2-(Butoxymethyl)Phenyl]Carbamate Chloride
• Synonyms: N-[2-(Butoxymethyl)Phenyl]Carbamic Acid 2-(1-Azepan-1-Iumyl)Ethyl Ester Chloride; N-[2-(Butoxymethyl)Phenyl]Carbamic Acid 2-(Azepan-1-Ium-1-Yl)Ethyl Ester Chloride; 2-(Hexahydro-1H-Azepin-1-Yl)Ethyl O-(Butoxymethyl)Carbanilate Hydrochloride
• Molecular Formula: C₂₀H₃₃ClN₂O₃
• Molecular Weight: 384.95
• CAS Registry Number: 80171-83-1
• SMILES: C2=C(NC(OCC[NH+]1CCCCCC1)=O)C(=CC=C2)COCCCC.[Cl-]
• InChI: 1S/C20H32N2O3.ClH/c1-2-3-15-24-17-18-10-6-7-11-19(18)21-20(23)25-16-14-22-12-8-4-5-9-13-22;/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,21,23);1H
• InChIKey: CIGRHTIBLDYHCH-UHFFFAOYSA-N

Properties

• Boiling point: 435.1°C at 760 mmHg (Cal.)
• Flash point: 216.9°C (Cal.)