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(2-hydroxytrimethylene)bis(trimethylammonium) dichloride - ≥97%, high purity , CAS No.55636-09-4

COA

Grade & Purity:

≥97%

Cas Number: 55636-09-4
Molecular Weight: 247.21
MDL number: MFCD30145921
PubChem CID: 6453216

In stock

Item Number

B770491

Grouped product items
SKU	Size	Availability	Price	Qty
B770491-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$405.90
B770491-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,420.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,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 chloride salts Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Choline - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Organic chloride 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

INCHI	InChI=1S/C9H24N2O.2ClH/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKey	UIYQPSXVBLBPQP-UHFFFAOYSA-L
Smiles	C[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]
Isomeric SMILES	C[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]
Molecular Weight	247.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	246.127 Da
Monoisotopic Mass	246.127 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	116.000
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	3

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