Phosphocholine Chloride Sodium Salt Hydrate - ≥98% , CAS No.16904-96-4

CAS: 16904-96-4 Cat. No.: P305142 Peso molecular: 263.57（Anhydrous） Número EC: 240-953-1 PubChem CID: 85635

GRADE & PURITY ≥98%

Synonyms

Phosphocholine chloride sodium salt hydrate | Phosphorylcholine Chloride Sodium Salt | J-010503 | EINECS 240-953-1 | DTXSID90937578 | HY-W127640 | Sodium 2-(trimethylammonio)ethyl phosphate chloride | MFCD09037359 | Sodium chloride 2-(trimethylazaniumyl)e

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Phosphocholine chloride sodium salt hydrate | Phosphorylcholine Chloride Sodium Salt | J-010503 | EINECS 240-953-1 | DTXSID90937578 | HY-W127640 | Sodium 2-(trimethylammonio)ethyl phosphate chloride | MFCD09037359 | Sodium chloride 2-(trimethylazaniumyl)e

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755822
• Sonrisas canónicas: C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
• IUPAC Name: disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
• InChIKey: HMCRHROSIPYRGL-UHFFFAOYSA-L
• INCHI: 1S/C5H14NO4P.ClH.2Na/c1-6(2,3)4-5-10-11(7,8)9;;;/h4-5H2,1-3H3,(H-,7,8,9);1H;;/q;;2*+1/p-2
• Isómeros SMILES: C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
• PubChem CID: 85635
• Peso molecular: 263.57（Anhydrous）

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Phosphocholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Phosphocholines
• Alternative Parents: Alkyl phosphates Tetraalkylammonium salts Organic metal halides Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphocholine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Organic alkali metal salt - Organic metal halide - Hydrocarbon derivative - Organic chloride salt - Organic sodium salt - Organic salt - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aliphatic acyclic compound
• Descripción: 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

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Hygroscopic
• Peso molecular: 263.570 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.007 Da
• Monoisotopic Mass: 263.007 Da
• Topological Polar Surface Area: 72.400 Ų
• Heavy Atom Count: 14
• 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: 4

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