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Benzyldimethyltetradecylammonium chloride dihydrate - 98%, high purity , CAS No.147228-81-7

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Benzyldimethyltetradecylammonium chloride dihydrate - 98%, high purity , CAS No.147228-81-7

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 147228-81-7
Molecular Weight: 404.07
Beilstein Registry Number: 4062600
MDL number: MFCD00149985
PubChem CID: 177843

In stock

Item Number

B167374

Grouped product items
SKU	Size	Availability	Price
B167374-5g	5g	2	$9.90
B167374-25g	25g	3	$11.90
B167374-100g	100g	1	$42.90
B167374-500g	500g	2	$189.90

Basic Description

Synonyms	CAS-147228-81-7 \| Benzyldimethyltetradecylammonium chloride dihydrate, 98% \| benzyldimethyltetradecyl ammonium chloride dihydrate \| NCGC00166405-01 \| Tetradecyldimethylbenzylammonium chloride dihydrate \| AS-19605 \| N-Benzyl-N,N-dimethyltetradecan-1-aminiu
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Alkyldimethylbenzylammonium halides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Alkyldimethylbenzylammonium halides
Intermediate Tree Nodes	Not available
Direct Parent	Alkyldimethylbenzylammonium chlorides
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyldimethylbenzylammonium chloride - Benzylamine - Phenylmethylamine - Aralkylamine - Quaternary ammonium salt - Tetraalkylammonium salt - Amine - Hydrocarbon derivative - Organic chloride salt - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	benzyl-dimethyl-tetradecylazanium;chloride;dihydrate
INCHI	InChI=1S/C23H42N.ClH.2H2O/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;2*1H2/q+1;;;/p-1
InChIKey	YLPZVNXGKBIJBW-UHFFFAOYSA-M
Smiles	CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-]
Isomeric SMILES	CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-]
WGK Germany	2
Molecular Weight	404.07
Beilstein	4062600
Reaxy-Rn	14769605
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14769605&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
E2008128	Certificate of Analysis	Feb 05, 2024	B167374

Chemical and Physical Properties

Melt Point(°C)	63-65 °C
Molecular Weight	404.100 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	403.322 Da
Monoisotopic Mass	403.322 Da
Topological Polar Surface Area	2.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	265.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	4

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ziyue Ling, Chunji Jiang, Xianda Liu, Yupei Li, Weifeng Zhao, Changsheng Zhao. (2023) Histidine-inspired polyacrylonitrile-based adsorbent with excellent hemocompatibility for the simultaneous removal of bacteria and endotoxin in septic blood. COMPOSITES PART B-ENGINEERING, 266 (110994).

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