Hexadecylpyridinium chloride monohydrate - Ph.Eur. , CAS No.6004-24-6

CAS: 6004-24-6 Cat. No.: H433048 Molecular Weight: 358.00 Beilstein Registry Number: 3578606 EC Number: 678-154-9
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GRADE & PURITY Ph.Eur. ? European Pharmacopoeia grade — conforms to Ph.Eur. monographs across EU member states. Use for pharmaceutical work needing European compendial compliance.
Synonyms
1-hexadecylpyridin-1-ium hydrate chloride | Cetylpyridinium chloride (USP) | D01062 | HY-B1289 | (1-Hexadecyl)pyridinium chloride monohydrate | C21H40ClNO | Cetylpyridinium chloride hydrate | 1-Hexadecyl-1-pyridinium Chloride Hydrate | AMY18060 | Cetylpyr
Storage
Room temperature
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100g
H433048-100g
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Why this grade

Ph.Eur. Ph.Eur. for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 37 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application

Hexadecylpyridinium chloride is used as a component of cationic and mixed micelles and in nanoparticle and hydrogel compositions. Used for detergent-based extraction of membrane-associated enzymes such as alkaline phosphatase, and in extraction of chromium and palladium.

Specifications

Synonyms
1-hexadecylpyridin-1-ium hydrate chloride | Cetylpyridinium chloride (USP) | D01062 | HY-B1289 | (1-Hexadecyl)pyridinium chloride monohydrate | C21H40ClNO | Cetylpyridinium chloride hydrate | 1-Hexadecyl-1-pyridinium Chloride Hydrate | AMY18060 | Cetylpyr
Specifications & Purity
Ph.Eur.
Storage
Room temperature
Grade
Ph.Eur.
Names and Identifiers
Canonical SmilesCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
IUPAC Name1-hexadecylpyridin-1-ium;chloride;hydrate
InChIKeyNFCRBQADEGXVDL-UHFFFAOYSA-M
INCHI1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
Isomeric SMILES CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
WGK Germany 3
RTECS UU5075000
UN Number 2811
Molecular Weight 358.00
Beilstein 3578606
Reaxy-Rn 17134807
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17134807&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinium derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinium derivatives
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Organic chloride salts  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
External Descriptors hydrate
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Opioid receptors; mu & delta (1530 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSPD1 Tbio HSP60/HSP10 (366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TST Tchem Thiosulfate sulfurtransferase (144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mc4r Melanocortin receptor 4 (1205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
groL GroEL/GroES (1042 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
groEL 60 kDa chaperonin (64 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)81°C-86°C
Molecular Weight358.000 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass357.28 Da
Monoisotopic Mass357.28 Da
Topological Polar Surface Area4.900 Ų
Heavy Atom Count24
Formal Charge0
Complexity208.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Documents & Articles
Citations of This Product
References
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19. Wang Xiangyan, Sun Duanping, Tong Yanli, Zhong Yongsheng, Chen Zuanguang.  (2017)  A voltammetric aptamer-based thrombin biosensor exploiting signal amplification via synergetic catalysis by DNAzyme and enzyme decorated AuPd nanoparticles on a poly(o-phenylenediamine) support.  MICROCHIMICA ACTA,  184  (6): (1791-1799).  [PMID:] [10.1007/s00604-017-2160-0]
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