N-Benzyl-N,N-Diethylethanaminium Chloride
[CAS# 207124-62-7]

Identification

• Name: N-Benzyl-N,N-Diethylethanaminium Chloride
• Synonyms: Ammonium, benzyltriethyl-, chloride; BAC-TE; Benzyl triethyl ammonium chloride
• Molecular Formula: C₁₃H₂₂ClN
• Molecular Weight: 227.77
• CAS Registry Number: 207124-62-7
• SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-]
• InChI: 1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
• InChIKey: HTZCNXWZYVXIMZ-UHFFFAOYSA-M

Properties

• Melting point: 185°C (Expl.)
• Boiling point: 445°C (Expl.)
• Refractive index: (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): Ronald Trotzki, Matthias Nüchter and Bernd Ondruschka. Microwave assisted phosgenation – alcoholysis using triphosgene, Green Chem., 2003, 5, 285.