Benzyltriethylammonium Iodide

• CAS: 5400-94-2
• Catalog Number: ACM5400942
• Category: Other Products
• Molecular Weight: 319.23g/mol
• Molecular Formula: C13H22IN
• Synonyms: EINECS 226-446-8; TRA0083276; TR-019090; NSC-10409; triethylbenzylammonium iodide; C13H22IN; CTK4J9303; MFCD00043178; BENZYLTRIETHYLAMMONIUMIODIDE; benzyl(triethyl)ammonium hydroiodide
• IUPAC Name: benzyl(triethyl)azanium;iodide
• Canonical SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[I-]
• InChI: InChI=1S/C13H22N.HI/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
• InChI Key: JWLJBISFJGEYMT-UHFFFAOYSA-M
• Complexity: 135
• Covalently-Bonded Unit Count: 2
• EC Number: 226-446-8
• Exact Mass: 319.08g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 319.08g/mol
• NSC Number: 10409
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 0A^2

Synthetic Use

Upstream Synthesis Route 1

• 100-39-0
• 121-44-8

• 5400-94-2

Reference: [1]Wedekind; Paschke
[Chemische Berichte, 1910, vol. 43, p. 1306]

Upstream Synthesis Route 2

• 75-03-6
• 109-89-7

• 5400-94-2

Reference: [1]Meyer,V.
[Chemische Berichte, 1877, vol. 10, p. 310]
Ladenburg; Struve
[Chemische Berichte, 1877, vol. 10, p. 46]

Upstream Synthesis Route 3

• 75-03-6
• 100-46-9

• 5400-94-2

Reference: [1]Meyer,V.
[Chemische Berichte, 1877, vol. 10, p. 310]
Ladenburg; Struve
[Chemische Berichte, 1877, vol. 10, p. 46]