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

CAS: 55636-09-4 Cat. No.: B770491 Formule: C₉H₂₄Cl₂N₂O Poids moléculaire: 247.21 Numéro CE: 259-734-7

QUALITÉ & PURETÉ ≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Spécifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]

InChIKey

UIYQPSXVBLBPQP-UHFFFAOYSA-L

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

Isomères SMILES

C[N+](C)(C)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]

Poids moléculaire

247.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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

Data sources

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

Propriétés chimiques et physiques

• Poids moléculaire: 247.200 g/mol
• 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 Ų
• 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

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55636-09-4, the molecular formula is C9H24Cl2N2O, and the molecular weight is 247.21 g/mol. InChIKey UIYQPSXVBLBPQP-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.