Benzyldimethyltetradecylammonium Chloride Hydrate

• Catalog Number: ACM139082
• Product Name: Benzyldimethyltetradecylammonium Chloride Hydrate
• CAS: 139-08-2
• Category: Heterocyclic Organic Compound
• 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
• Molecular Weight: 368.046g/mol
• Molecular Formula: C23H42ClN
• 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)