N-[2-(3,4-Dihydroxyphenyl)ethyl]-2-methylacrylamide - ≥97% , CAS No.471915-89-6

CAS: 471915-89-6 Cat. No.: N303773 Molecular Weight: 221.25

GRADE & PURITY ≥97%

Synonyms

Dopamine Methacrylamide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Dopamine Methacrylamide

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770552
• Canonical Smiles: CC(=C)C(=O)NCCC1=CC(=C(C=C1)O)O
• IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methylprop-2-enamide
• InChIKey: NQIMONOHVBBZKE-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO3/c1-8(2)12(16)13-6-5-9-3-4-10(14)11(15)7-9/h3-4,7,14-15H,1,5-6H2,2H3,(H,13,16)
• Isomeric SMILES: CC(=C)C(=O)NCCC1=CC(=C(C=C1)O)O
• Molecular Weight: 221.25
• Reaxy-Rn: 21170368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21170368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols
        • Level5 Catechols
          • Level6 Catecholamines and derivatives
            • Level7 N-acyldopamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Catechols - Catecholamines and derivatives
• Direct Parent: N-acyldopamines
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyldopamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
• 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Molecular Weight: 221.250 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.105 Da
• Monoisotopic Mass: 221.105 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 265.000
• 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

References

1. Shaohua Li, Zhenyu Xi, Songchen Xie, Guanlun Jiang, Xinmiao Zhang.  (2025)  Bioinspired catechol/APTES interlayer for constructing zwitterionic PMPC coating on PVDF membranes with superior antifouling performance.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.139181]