3-[[2-(Acryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate - ≥98% , CAS No.88992-91-0

CAS: 88992-91-0 Cat. No.: A405660 Peso molecular: 265.32 Número EC: 289-459-8

GRADE & PURITY ≥98%

Synonyms

3-[[2-(Acryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate | starbld0009623 | SCHEMBL867206 | 3-((2-(acryloyloxy)ethyl)dimethylammonio)propane-1-sulfonate | DTXSID601123629 | MFCD07370129 | 1-Propanaminium, N,N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]et

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-[[2-(Acryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate | starbld0009623 | SCHEMBL867206 | 3-((2-(acryloyloxy)ethyl)dimethylammonio)propane-1-sulfonate | DTXSID601123629 | MFCD07370129 | 1-Propanaminium, N, N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]et

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201806
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201806
• Sonrisas canónicas: C[N+](C)(CCCS(=O)(=O)[O-])CCOC(=O)C=C
• IUPAC Name: 3-[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]propane-1-sulfonate
• InChIKey: ZQRNRKASNNVFAJ-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO5S/c1-4-10(12)16-8-7-11(2,3)6-5-9-17(13,14)15/h4H,1,5-9H2,2-3H3
• Isómeros SMILES: C[N+](C)(CCCS(=O)(=O)[O-])CCOC(=O)C=C
• RTECS: EZ3850000
• Peso molecular: 265.32
• Reaxy-Rn: 37936953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37936953&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Acrylic acid esters Tetraalkylammonium salts Sulfonyls Organosulfonic acids Enoate esters Alkanesulfonic acids Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Acrylic acid ester - Acrylic acid or derivatives - Tetraalkylammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• 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

• Sensibilidad: Light Sensitive,Hygroscopic,Heat Sensitive
• Peso molecular: 265.330 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 265.098 Da
• Monoisotopic Mass: 265.098 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 342.000
• 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