1-(3-Sulfopropyl)-2-vinylpyridinium Hydroxide Inner Salt - ≥98% , CAS No.6613-64-5

CAS: 6613-64-5 Cat. No.: S304310 Peso molecular: 227.28 Número EC: 229-565-3 PubChem CID: 81089

GRADE & PURITY ≥98%

Synonyms

DTXSID60216327 | 1-(3-Sulfopropyl)-2-vinylpyridinium hydroxide inner salt | FT-0707242 | SCHEMBL18148998 | 1-(3-Sulfonatopropyl)-2-vinylpyridinium | 1-(3-Sulfopropyl-1)-2-vinyl pyridinium betaine | 1-(3-Sulphonatopropyl)-2-vinylpyridinium | 3-(2-ethenylpy

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID60216327 | 1-(3-Sulfopropyl)-2-vinylpyridinium hydroxide inner salt | FT-0707242 | SCHEMBL18148998 | 1-(3-Sulfonatopropyl)-2-vinylpyridinium | 1-(3-Sulfopropyl-1)-2-vinyl pyridinium betaine | 1-(3-Sulphonatopropyl)-2-vinylpyridinium | 3-(2-ethenylpy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185925
• Sonrisas canónicas: C=CC1=CC=CC=[N+]1CCCS(=O)(=O)[O-]
• IUPAC Name: 3-(2-ethenylpyridin-1-ium-1-yl)propane-1-sulfonate
• InChIKey: DNHDSWZXBHTLDP-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3S/c1-2-10-6-3-4-7-11(10)8-5-9-15(12,13)14/h2-4,6-7H,1,5,8-9H2
• Isómeros SMILES: C=CC1=CC=CC=[N+]1CCCS(=O)(=O)[O-]
• PubChem CID: 81089
• Peso molecular: 227.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Heteroaromatic compound - Azacycle - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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
• Punto de fusión (°C): 263°C(lit.)
• Peso molecular: 227.280 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.062 Da
• Monoisotopic Mass: 227.062 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 281.000
• 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: 1