Benzyldimethylhexadecylammonium chloride

CAS
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Purity
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CAS
122-18-9
Size
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Purity
99%
Price
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Availability
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Catalog Number

ACM122189-3

Product Name

Benzyldimethylhexadecylammonium chloride

Structure

CAS

122-18-9

Category

Heterocyclic Organic Compound

Synonyms

Cetyl zephiran

IUPAC Name

Benzyl-hexadecyl-dimethylazanium;chloride

Molecular Weight

396.09

Molecular Formula

C25H46ClN

Canonical SMILES

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

InChI

InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1

InChI Key

SXPWTBGAZSPLHA-UHFFFAOYSA-M

Melting Point

55-65 °C

Appearance

White powder

Storage

Room Temperature

Assay

0.99

Complexity

291

Covalently-Bonded Unit Count

EC Number

204-526-3

Exact Mass

395.3318782

Formal Charge

H-Bond Acceptor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

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

MDL Number

MFCD00011625

Monoisotopic Mass

395.3318782

NSC Number

32942

Packaging

1 ton

Physical State

White to light yellow powder

Refractive Index

1.6

Rotatable Bond Count

Storage Conditions

Room temperature

Topological Polar Surface Area

0 Å²

UNII

85474O1N9D

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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