CAS 139-08-2 Benzyldimethyltetradecylammonium Chloride Hydrate

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/;

Storage

2-8°C

Color Form

Free-flowing powder;White crystalline powder;

Complexity

265

Covalently-Bonded Unit Count

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

Heavy Atom Count

Monoisotopic Mass

367.301g/mol

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);

Rotatable Bond Count

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);