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Myristalkonium Chloride

Catalog Number
ACM139082-2
CAS Number
139-08-2
Product Name
Myristalkonium Chloride
Structure
Category
Polymers
Description
Liquid;Liquid;DryPowder; Liquid
IUPAC Name
benzyl-dimethyl-tetradecylazanium;chloride
Molecular Weight
368g/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 °C
Solubility
Solubility in water: >1,000 mg/L /Alkyl(C=10-14) benzyldimethylammonium chloride/
Color/Form
Free-flowing powder;White crystalline powder
Complexity
265
Covalently-Bonded Unit Count
2
EC Number
205-352-0;270-325-2;269-919-4
Exact Mass
367.300578g/mol
Formal Charge
0
Heavy Atom Count
25
Log P
log Kow = 3.91 (est)
MeSH Entry Terms
BDTA;benzyldimethyltetradecylammonium chloride;BZK-C14;tetradecyldimethylbenzammonium chloride;tetradecyldimethylbenzylammonium fluoride;zephiramine;zephiramine alginate;zephiramine bromide;zephiramine chloride;zephiramine chloroiodoiodate (1-);zephiramine dichlorotriphenylstannate (1-);zephiramine dimethylcarbamodithioate;zephiramine fluoride;zephiramine iodide;zephiramine tetrachlorodimethylstannate (2-) (2:1);zephiramine tetrachloromethylstannate (1-);zephiramine trichlorodimethylstannate (1-);zephiramine, (OC-6-21)-pentachloromethylstannate (2-) (2:1);zephiramine, (TB-5-11)-dichlorotricyclohexylstannate (1-)
Monoisotopic Mass
367.300578g/mol
Other Experimental
Henry's Law constant = 1.3X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 4.4X10-11 cu cm/molecule-sec at 25 °C (est)
Rotatable Bond Count
15
Stability
Stable under recommended storage conditions.
UNII
0W255OL75T
Vapor Pressure
3.6X10-10 mm Hg at 25 °C (est)
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