Benzyldodecyldimethylammonium bromide

• CAS: 7281-04-1
• Catalog Number: ACM7281041-3
• Category: Main Products
• Molecular Weight: 384.44
• Molecular Formula: C21H38BrN
• Synonyms: Benzyldimethyldodecylammonium bromide
• IUPAC Name: benzyl-dodecyl-dimethylazanium;bromide
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
• InChI: InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
• InChI Key: KHSLHYAUZSPBIU-UHFFFAOYSA-M
• Melting Point: 50-55 °C
• Flash Point: 110 °C
• Appearance: Powder
• Application: Benzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and medical equipment disinfectant.
• Storage: 2-8°C
• Assay: 0.98
• Complexity: 240
• Covalently-Bonded Unit Count: 2
• EC Number: 230-698-4
• Exact Mass: 383.21876
• Formal Charge: 0
• H-Bond Acceptor: 1
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
• MDL Number: MFCD00011768
• Monoisotopic Mass: 383.21876
• Packaging: 1 kg
• Physical State: Light yellow liquid or paste
• Rotatable Bond Count: 13
• Storage Conditions: 2-8°C
• Topological Polar Surface Area: 0 Ų
• UNII: IRY12B2TQ6

Custom Q&A

What is the molecular formula of Benzyldodecyldimethylammonium bromide?

The molecular formula of Benzyldodecyldimethylammonium bromide is C21H38BrN.

What are some synonyms of Benzyldodecyldimethylammonium bromide?

Some synonyms of Benzyldodecyldimethylammonium bromide include Benzalkonium bromide, Benzododecinium bromide, and Sinnoquat BL 95.

What are the chemical safety hazards associated with Benzyldodecyldimethylammonium bromide?

Benzyldodecyldimethylammonium bromide is corrosive, acutely toxic, an irritant, and an environmental hazard.

What is the IUPAC name of Benzyldodecyldimethylammonium bromide?

The IUPAC name of Benzyldodecyldimethylammonium bromide is benzyl-dodecyl-dimethylazanium bromide.

What is the InChIKey of Benzyldodecyldimethylammonium bromide?

The InChIKey of Benzyldodecyldimethylammonium bromide is KHSLHYAUZSPBIU-UHFFFAOYSA-M.

What is the CAS number of Benzyldodecyldimethylammonium bromide?

The CAS number of Benzyldodecyldimethylammonium bromide is 7281-04-1.

What is the role of Benzyldodecyldimethylammonium bromide?

Benzyldodecyldimethylammonium bromide has a role as a surfactant, an antiseptic drug, and a disinfectant.

What are some computed descriptors of Benzyldodecyldimethylammonium bromide?

The computed descriptors of Benzyldodecyldimethylammonium bromide include IUPAC Name, InChI, InChIKey, and Canonical SMILES.

Can you provide the Canonical SMILES for Benzyldodecyldimethylammonium bromide?

The Canonical SMILES for Benzyldodecyldimethylammonium bromide is CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-].

What is the European Community (EC) Number of Benzyldodecyldimethylammonium bromide?

The European Community (EC) Number of Benzyldodecyldimethylammonium bromide is 230-698-4.