Hexadecyltrimethylammonium chloride

• Catalog Number: ACM112027
• Product Name: Hexadecyltrimethylammonium chloride
• CAS: 112-02-7
• Category: Cationic Surfactants
• Synonyms: Cetyltrimethylammonium chloride
• IUPAC Name: hexadecyl(trimethyl)azanium;chloride
• Molecular Weight: 320.00
• Molecular Formula: C19H42ClN
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
• InChI Key: WOWHHFRSBJGXCM-UHFFFAOYSA-M
• Melting Point: 232-237 °C
• Density: 0.968 g/mL at 25 °C
• Solubility: Water solubility: 440 mg/l at 30 deg C
• Appearance: White powder
• Complexity: 181
• Covalently-Bonded Unit Count: 2
• Decomposition: When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
• Defined Atom Stereocenter Count: 0
• EC Number: 203-928-6
• Exact Mass: 319.3005780
• Formal Charge: 0
• H-Bond Acceptor: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• MDL Number: MFCD00011773
• Monoisotopic Mass: 319.3005780
• Octanol Water Partition Coefficient: log Kow= 3.23
• Other Experimental: CLEAR TO PALE YELLOW LIQUID; RUBBING ALCOHOL ODOR /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/
• Physical Description: HEXADECYLTRIMETHYLAMMONIUM CHLORIDE is a colorless to pale yellow liquid with an odor of rubbing alcohol. Floats or sinks in water. (USCG, 1999);Liquid
• Physical State: Powder
• Rotatable Bond Count: 15
• Topological Polar Surface Area: 0 Ų
• UNII: UC9PE95IBP
• UN Number: 3082

Custom Q&A

What is the chemical formula of Hexadecyltrimethylammonium chloride?

The chemical formula of Hexadecyltrimethylammonium chloride is C19H42N.Cl.

What is the molecular weight of Hexadecyltrimethylammonium chloride?

The molecular weight of Hexadecyltrimethylammonium chloride is 320.0 g/mol.

What is the structure of Hexadecyltrimethylammonium chloride?

The structure of Hexadecyltrimethylammonium chloride is not provided in the reference.

What are some synonyms for Hexadecyltrimethylammonium chloride?

Some synonyms for Hexadecyltrimethylammonium chloride are Cetyltrimethylammonium chloride, Cetrimonium chloride, N,N,N-trimethylhexadecan-1-aminium chloride, and more.

What is the role of Hexadecyltrimethylammonium chloride?

Hexadecyltrimethylammonium chloride is a surfactant and its salts and derivatives are primarily used as topical antiseptics.

What is the IUPAC name of Hexadecyltrimethylammonium chloride?

The IUPAC name of Hexadecyltrimethylammonium chloride is hexadecyl(trimethyl)azanium;chloride.

What is the InChI of Hexadecyltrimethylammonium chloride?

The InChI of Hexadecyltrimethylammonium chloride is InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1.

What is the canonical SMILES of Hexadecyltrimethylammonium chloride?

The canonical SMILES of Hexadecyltrimethylammonium chloride is CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].

What is the CAS number of Hexadecyltrimethylammonium chloride?

The CAS number of Hexadecyltrimethylammonium chloride is 112-02-7.

What is the UNII of Hexadecyltrimethylammonium chloride?

The UNII of Hexadecyltrimethylammonium chloride is UC9PE95IBP.