Benzyldimethylhexadecylammonium chloride

• CAS: 122-18-9
• Catalog Number: ACM122189-3
• Category: Other Products
• Molecular Weight: 396.09
• Molecular Formula: C25H46ClN
• Synonyms: Cetyl zephiran
• IUPAC Name: Benzyl-hexadecyl-dimethylazanium;chloride
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• InChI: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
• InChI Key: SXPWTBGAZSPLHA-UHFFFAOYSA-M
• Melting Point: 55-65 °C
• Appearance: White powder
• Storage: Room Temperature
• Assay: 0.99
• Complexity: 291
• Covalently-Bonded Unit Count: 2
• EC Number: 204-526-3
• Exact Mass: 395.3318782
• Formal Charge: 0
• H-Bond Acceptor: 1
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• MDL Number: MFCD00011625
• Monoisotopic Mass: 395.3318782
• NSC Number: 32942
• Packaging: 1 ton
• Physical State: White to light yellow powder
• Refractive Index: 1.6
• Rotatable Bond Count: 17
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 0 Ų
• UNII: 85474O1N9D

Custom Q&A

What is the molecular formula of Benzylcetyldimethylammonium Chloride Hydrate?

The molecular formula of Benzylcetyldimethylammonium Chloride Hydrate is C25H48ClNO.

When was Benzylcetyldimethylammonium Chloride Hydrate first created?

Benzylcetyldimethylammonium Chloride Hydrate was first created on July 12, 2007.

What is the computed IUPAC name of Benzylcetyldimethylammonium Chloride Hydrate?

The computed IUPAC name of Benzylcetyldimethylammonium Chloride Hydrate is benzyl-hexadecyl-dimethylazanium;chloride;hydrate.

What is the molecular weight of Benzylcetyldimethylammonium Chloride Hydrate?

The molecular weight of Benzylcetyldimethylammonium Chloride Hydrate is 414.1 g/mol.

How many hydrogen bond donor counts are there in Benzylcetyldimethylammonium Chloride Hydrate?

There is 1 hydrogen bond donor count in Benzylcetyldimethylammonium Chloride Hydrate.

What is the exact mass of Benzylcetyldimethylammonium Chloride Hydrate?

The exact mass of Benzylcetyldimethylammonium Chloride Hydrate is 413.3424428 g/mol.

How many rotatable bond counts are there in Benzylcetyldimethylammonium Chloride Hydrate?

There are 17 rotatable bond counts in Benzylcetyldimethylammonium Chloride Hydrate.

Is Benzylcetyldimethylammonium Chloride Hydrate a canonicalized compound?

Yes, Benzylcetyldimethylammonium Chloride Hydrate is a canonicalized compound.

What is the topological polar surface area of Benzylcetyldimethylammonium Chloride Hydrate?

The topological polar surface area of Benzylcetyldimethylammonium Chloride Hydrate is 1?2.

How many covalently-bonded units are there in Benzylcetyldimethylammonium Chloride Hydrate?

There are 3 covalently-bonded units in Benzylcetyldimethylammonium Chloride Hydrate.