N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt (DAOS) - ≥99% , CAS No.83777-30-4

CAS: 83777-30-4 Cat. No.: D108991 Peso molecular: 341.36 Número EC: 629-844-3

GRADE & PURITY ≥99%

Synonyms

N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt | DAOS | MFCD09832859 | Sodium 3-((3,5-dimethoxyphenyl)(ethyl)amino)-2-hydroxypropane-1-sulfonate | Sodium 3-[(3,5-dimethoxyphenyl)(ethyl)amino]-2-hydroxypropane-1-sulfonate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3, 5-dimethoxyaniline sodium salt | DAOS | MFCD09832859 | Sodium 3-((3, 5-dimethoxyphenyl)(ethyl)amino)-2-hydroxypropane-1-sulfonate | Sodium 3-[(3, 5-dimethoxyphenyl)(ethyl)amino]-2-hydroxypropane-1-sulfonate

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504769621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769621
• Sonrisas canónicas: CCN(CC(CS(=O)(=O)[O-])O)C1=CC(=CC(=C1)OC)OC.[Na+]
• IUPAC Name: sodium;3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
• InChIKey: HDARHUHTZKLJET-UHFFFAOYSA-M
• INCHI: 1S/C13H21NO6S.Na/c1-4-14(8-11(15)9-21(16,17)18)10-5-12(19-2)7-13(6-10)20-3;/h5-7,11,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1
• Isómeros SMILES: CCN(CC(CS(=O)(=O)[O-])O)C1=CC(=CC(=C1)OC)OC.[Na+]
• WGK Alemania: 3
• Peso molecular: 341.36
• Reaxy-Rn: 5695569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5695569&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Dialkylarylamines Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Methoxyaniline - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Organic sulfonic acid or derivatives - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Organosulfonic acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Ether - Organic alkali metal salt - Organic sodium salt - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Peso molecular: 341.360 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 341.091 Da
• Monoisotopic Mass: 341.091 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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