Polyquaternium - 11 - 20 wt. % in H2O , CAS No.53633-54-8

CAS: 53633-54-8 Cat. No.: P101212 Número EC: 611-022-0

GRADE & PURITY 20 wt. % in H2O

Synonyms

0B44BS5IJS | Quaternium-23 | UNII-0B44BS5IJS | 2-(Dimethylamino)ethyl methacrylate compound with diethyl sulfate and 1-vinylpyrrolidin-2-one (1:1:1) | diethyl sulfate;2-(dimethylamino)ethyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one | SCHEMBL444003

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

0B44BS5IJS | Quaternium-23 | UNII-0B44BS5IJS | 2-(Dimethylamino)ethyl methacrylate compound with diethyl sulfate and 1-vinylpyrrolidin-2-one (1:1:1) | diethyl sulfate;2-(dimethylamino)ethyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one | SCHEMBL444003

Especificaciones y pureza

20 wt. % in H2O

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488186847
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186847
• Sonrisas canónicas: CCOS(=O)(=O)OCC.CC(=C)C(=O)OCCN(C)C.C=CN1CCCC1=O
• IUPAC Name: diethyl sulfate;2-(dimethylamino)ethyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
• InChIKey: XXJPSODUGQZOHA-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2.C6H9NO.C4H10O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-7-5-3-4-6(7)8;1-3-7-9(5,6)8-4-2/h1,5-6H2,2-4H3;2H,1,3-5H2;3-4H2,1-2H3
• Isómeros SMILES: CCOS(=O)(=O)OCC.CC(=C)C(=O)OCCN(C)C.C=CN1CCCC1=O
• WGK Alemania: 2
• Número ONU: 3082
• Reaxy-Rn: 57506973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57506973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diesters
• Alternative Parents: Pyrrolidine-2-ones Alkyl sulfates Tertiary carboxylic acid amides Enoate esters Trialkylamines Lactams Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Sulfuric acid diester - Alkyl sulfate - 2-pyrrolidone - Pyrrolidone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
• 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

• Índice de refracción: 1.369
• Peso molecular: 422.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 422.209 Da
• Monoisotopic Mass: 422.209 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 402.000
• 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

Referencias

1. Mengyun Zhang, Wanxun Li, Chenru Zhao, Farida Tatardar, Levent Parali, Anna Guliakova, Guodong Zhu.  (2026)  Optoelectrical stacked dielectric-gated organic thin film transistors for artificial synaptic simulation.  ORGANIC ELECTRONICS,      [PMID:] [10.1016/j.orgel.2026.107413]