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Phosphocholine Chloride Calcium Salt Tetrahydrate - 10mM in Water , CAS No.72556-74-2

Phosphocholine Chloride Calcium Salt Tetrahydrate - 10mM in Water , CAS No.72556-74-2

CAS: 72556-74-2 Cat. No.: P425677 Molecular Weight: 257.66(as Anhydrous) Beilstein Registry Number: 4835230 EC Number: 629-452-2

COA

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Phosphocholine Chloride Calcium Salt Tetrahydrate - 10mM in Water CAS No(72556-74-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY 10mM in Water

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles	C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]
IUPAC Name	calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate
InChIKey	JGULOZKZZMBGFX-UHFFFAOYSA-L
INCHI	1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
Isomeric SMILES	C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]
WGK Germany	3
Alternate CAS	4826-71-5
Molecular Weight	257.66(as Anhydrous)
Beilstein	4835230
Reaxy-Rn	4836651
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4836651&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts
      - Level5 Cholines
        Level6 Phosphocholines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Cholines
Direct Parent	Phosphocholines
Alternative Parents	Alkyl phosphates Tetraalkylammonium salts Organic metal halides Organic calcium salts Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Phosphocholine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Organic calcium salt - Organic metal halide - Amine - Organic oxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	329.730 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	329.032 Da
Monoisotopic Mass	329.032 Da
Topological Polar Surface Area	76.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	147.000
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	7

Solution Calculators

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