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β-Methylcholine Iodide - 99%, high purity , CAS No.26112-50-5

COA

Grade & Purity:

≥99%

Cas Number: 26112-50-5
Molecular Weight: 245.1
MDL number: MFCD00059987
PubChem CID: 10263892

In stock

Item Number

B152036

Grouped product items
SKU	Size	Availability	Price	Qty
B152036-5g	5g	1	$87.90
B152036-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$338.90

View related series

alcohol (850) Biochemical Assay Reagents (928) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Fluoro-5-Methylsulphenyl Nitrobenzene \| Methylchloine iodide [WHO-DD] \| (2-hydroxypropyl)trimethylazanium iodide \| 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide \| Ammonium, (2-hydroxypropyl)trimethyl-, iodide, (+/-)- \| Q27252595 \| 2-Hydroxypropylt
Specifications & Purity	≥99%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Not available
Direct Parent	Cholines
Alternative Parents	Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Choline - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organic zwitterion - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
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

Names and Identifiers

IUPAC Name	2-hydroxypropyl(trimethyl)azanium;iodide
INCHI	InChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKey	FOILINVEQJRMPF-UHFFFAOYSA-M
Smiles	CC(C[N+](C)(C)C)O.[I-]
Isomeric SMILES	CC(C[N+](C)(C)C)O.[I-]
PubChem CID	10263892
Molecular Weight	245.1
Reaxy-Rn	4153347

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2305012	Certificate of Analysis	Jun 03, 2023	B152036
F2327100	Certificate of Analysis	Jun 03, 2023	B152036

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	160 °C
Molecular Weight	245.100 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	245.028 Da
Monoisotopic Mass	245.028 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65.400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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