CAS 139-08-2 Benzyldimethyltetradecylammonium chloride

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Benzyldimethyltetradecylammonium chloride

PRICE INQUIRY

Catalog Number

ACM139082-1

CAS Number

139-08-2

Product Name

Benzyldimethyltetradecylammonium chloride

Structure

Category

Electrolytes

Synonyms

Benzyltetradecyldimethylammonium chloride

Description

Liquid;Liquid;DryPowder; Liquid

IUPAC Name

benzyl-dimethyl-tetradecylazanium;chloride

Molecular Weight

368.04

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

56-62 °C

Purity

99%

Solubility

Soluble in water (1g/10 mL), clear, colorless

Appearance

White powder

Assay

0.98

Color/Form

Free-flowing powder;White crystalline powder

Complexity

265

Covalently-Bonded Unit Count

EC Number

205-352-0

Exact Mass

367.3005780

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Log P

log Kow = 3.91 (est)

MDL Number

MFCD00011771

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

367.3005780

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)

Packaging

25 kg

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

Storage Conditions

2-8 °C

Topological Polar Surface Area