Benzyldimethyltetradecylammonium Chloride Hydrate

• CAS: 139-08-2
• Catalog Number: ACM139082
• Category: Other Products
• Molecular Weight: 368.046g/mol
• Molecular Formula: C23H42ClN
• Synonyms: AX8116285; Tetradecyl-dimethyl-benzylammonium chloride; AC1L1RMP; N-Alkyl dimethyl benzyl ammonium chloride (C12-C18); C23H42ClN; Myristyldimethylbenzylammonium chloride; Tetradecyl dimethyl benzyl ammonium chloride; 139-08-2; UNII-F5UM2KM3W7 component OCBHHZMJRVXXQK-UHFFFAOYSA-M; Ammonium, alkyl(C12-C16)dimethylbenzyl-, chlorides
• IUPAC Name: benzyl-dimethyl-tetradecylazanium;chloride
• Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• InChI: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
• InChI Key: OCBHHZMJRVXXQK-UHFFFAOYSA-M
• Melting Point: 60-61 deg C
• Solubility: Solubility in water: >1,000 mg/L /Alkyl(C=10-14) benzyldimethylammonium chloride/
• Application: A quaternary ammonium halide
• Storage: 2-8°C
• Color/Form: Free-flowing powder;White crystalline powder
• Complexity: 265
• Covalently-Bonded Unit Count: 2
• Decomposition: When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/.
• EC Number: 205-352-0
• Exact Mass: 367.301g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 25
• Monoisotopic Mass: 367.301g/mol
• Octanol Water Partition Coefficient: log Kow = 3.91 (est)
• Other Experimental: Henry's Law constant = 1.3X10-11 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 4.4X10-11 cu cm/molecule-sec at 25 deg C (est)
• Physical Description: Liquid;Liquid;DryPowder; Liquid
• Rotatable Bond Count: 15
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 0A^2
• UNII: 0W255OL75T
• Vapor Pressure: 3.6X10-10 mm Hg at 25 deg C (est)

Custom Q&A

What is the molecular formula of Benzyldimethyltetradecylammonium Chloride Hydrate?

The molecular formula of Benzyldimethyltetradecylammonium Chloride Hydrate is C23H44ClNO.

When was Benzyldimethyltetradecylammonium Chloride Hydrate created and modified?

Benzyldimethyltetradecylammonium Chloride Hydrate was created on 2007-07-12 and modified on 2023-12-30.

What is the molecular weight of Benzyldimethyltetradecylammonium Chloride Hydrate?

The molecular weight of Benzyldimethyltetradecylammonium Chloride Hydrate is 386.1 g/mol.

What are the synonyms of Benzyldimethyltetradecylammonium Chloride Hydrate?

The synonyms of Benzyldimethyltetradecylammonium Chloride Hydrate include NCGC00166405-01, SCHEMBL146944, and CHEMBL1473396.

What is the IUPAC name of Benzyldimethyltetradecylammonium Chloride Hydrate?

The IUPAC name of Benzyldimethyltetradecylammonium Chloride Hydrate is benzyl-dimethyl-tetradecylazanium;chloride;hydrate.

What is the InChIKey of Benzyldimethyltetradecylammonium Chloride Hydrate?

The InChIKey of Benzyldimethyltetradecylammonium Chloride Hydrate is FXJNQQZSGLEFSR-UHFFFAOYSA-M.

What is the canonical SMILES of Benzyldimethyltetradecylammonium Chloride Hydrate?

The canonical SMILES of Benzyldimethyltetradecylammonium Chloride Hydrate is CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.[Cl-].

What is the CAS ID of Benzyldimethyltetradecylammonium Chloride Hydrate?

The CAS ID of Benzyldimethyltetradecylammonium Chloride Hydrate is 283158-20-3.

How many hydrogen bond donor counts does Benzyldimethyltetradecylammonium Chloride Hydrate have?

Benzyldimethyltetradecylammonium Chloride Hydrate has 1 hydrogen bond donor count.

Is the compound canonicalized in PubChem?

Yes, the compound Benzyldimethyltetradecylammonium Chloride Hydrate is canonicalized in PubChem.