Dodecyltrimethylammonium chloride

• CAS: 112-00-5
• Catalog Number: ACM112005
• Category: Ammonium Ionic Liquids
• Molecular Weight: 263.89
• Molecular Formula: C15H34ClN
• Synonyms: Laurtrimonium chloride; Lauryl trimethy
• IUPAC Name: dodecyl(trimethyl)azanium;chloride
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
• InChI Key: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
• Melting Point: 37 °C
• Solubility: Soluble in water
• Appearance: White solid
• Application: Dodecyltrimethylammonium chloride belongs to quaternary ammonium salts,it is useful as paint strippers, foaming stabilizers, and bactericidal lotions.
• Storage: Store below +30°C.
• Complexity: 135
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 203-927-0
• Exact Mass: 263.2379778
• Formal Charge: 0
• H-Bond Acceptor: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• MDL Number: MFCD00041974
• Monoisotopic Mass: 263.2379778
• NSC Number: 6931
• Physical Description: Liquid
• Physical State: Liquid
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 0 Ų
• UNII: A81MSI0FIC

Custom Q&A

What is the molecular formula of Dodecyltrimethylammonium Chloride?

The molecular formula is C15H34ClN.

What is the molecular weight of Dodecyltrimethylammonium Chloride?

The molecular weight is 263.89 g/mol.

What is the IUPAC name of Dodecyltrimethylammonium Chloride?

The IUPAC name is dodecyl(trimethyl)azanium;chloride.

What is the InChI of Dodecyltrimethylammonium Chloride?

The InChI is InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1.

What is the InChIKey of Dodecyltrimethylammonium Chloride?

The InChIKey is DDXLVDQZPFLQMZ-UHFFFAOYSA-M.

What is the CAS number of Dodecyltrimethylammonium Chloride?

The CAS number is 112-00-5.

How many hydrogen bond donor counts does Dodecyltrimethylammonium Chloride have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Dodecyltrimethylammonium Chloride have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond counts does Dodecyltrimethylammonium Chloride have?

It has 11 rotatable bond counts.

What is the topological polar surface area of Dodecyltrimethylammonium Chloride?

The topological polar surface area is 0-2.

Synthetic Use

Upstream Synthesis Route 1

• 112-52-7
• 75-50-3

• 112-00-5

Reference: [1] Journal of the American Chemical Society, 1984, vol. 106, # 24, p. 7506 - 7513
[2] Chemische Berichte, 1940, vol. 73, p. 1007
[3] DRP/DRBP Org.Chem.,

Upstream Synthesis Route 2

• 929-73-7
• 616-38-6

• 112-00-5

Reference: [1] Advanced Synthesis and Catalysis, 2007, vol. 349, # 7, p. 1095 - 1101

Upstream Synthesis Route 3

• 74-87-3
• 112-18-5

• 112-00-5

Reference: [1] Journal of Organic Chemistry, 1947, vol. 12, p. 518

Upstream Synthesis Route 4

• 74-87-3
• 112-18-5

• 112-00-5

Reference: [1]Journal of Organic Chemistry,1947,vol. 12,p. 518

Upstream Synthesis Route 5

• 64-17-5
• 112-52-7
• 75-50-3

• 112-00-5

Reference: [1]Chemische Berichte,1940,vol. 73,p. 1007

Upstream Synthesis Route 6

• 112-52-7
• 75-50-3

• 112-00-5

Reference: [1]Journal of the American Chemical Society,1984,vol. 106,p. 7506 - 7513
[2]Chemische Berichte,1940,vol. 73,p. 1007
[3]Patent: DE756185,1939,
DRP/DRBP Org.Chem.,