butyltrimethylazanium chloride

• ChemBase ID: 163493
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: [N+](CCCC)(C)(C)C.[Cl-]
• Canonical SMILES: CCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C7H18N.ClH/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
• InChIKey: WJVGUJSDVKTDIX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butyltrimethylazanium chloride
• IUPAC Traditional name: butyltrimethylazanium chloride
• Synonyms: N-Butyl-N,N,N-trimethylammonium Chloride; N,N,N-Trimethyl-1-butanaminium Chloride; Butyltrimethylammonium Chloride; N,N,N-TriMethylbutan-1-aMiniuM chloride

Database IDs

• CAS Number: 14251-72-0
• PubChem SID: 162257628
• PubChem CID: 84293

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.6482682
• LogD (pH = 7.4): -2.6482682
• Log P: -2.6482682
• Molar Refractivity: 49.7753 cm^3
• Polarizability: 15.112125 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - B693780

Butyltrimethylammonium Chloride is an antistatic agents that is used in surface application on polymers. Butyltrimethylammonium Chloride is also used as a co-pyrolisant in acetylcholine and choline pyrolysis gas chromatography.

REFERENCES

• Vasilenok, Y.I. et al.: Vest. Akad. Nav. BSSR Ser. Khim. Nav., 5, 97 (1971)
• Vasilenok, Y.I. et al.: Dok. Akad. Nauk BSSR, 18, 1016 (1984): Khandelwal, J.K. et al.: Eur. J. Pharmacol., 76, 145 (1971)