N-Octyltrimethylammonium bromide

• CAS: 2083-68-3
• Catalog Number: ACM2083683
• Category: Other Products
• Molecular Weight: 252.23
• Molecular Formula: C11H26BrN
• Synonyms: Octyltrimethylammonium bromide
• IUPAC Name: Trimethyl(octyl)azanium;bromide
• SMILES: CCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
• InChI Key: XCOHAFVJQZPUKF-UHFFFAOYSA-M
• Melting Point: 220-222 °C
• Appearance: White powder
• Storage: Inert atmosphere, Room Temperature
• Complexity: 91.7
• Covalently-Bonded Unit Count: 2
• Exact Mass: 251.12486
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 251.12486
• NSC Number: 97247
• Rotatable Bond Count: 7
• Safety Description: S26-S36
• Topological Polar Surface Area: 0 Ų

Synthetic Use

Upstream Synthesis Route 1

• 111-83-1
• 75-50-3

• 2083-68-3

Reference: [1]Journal of the American Chemical Society,1946,vol. 68,p. 757