4-[(E)-2-(4-Aminophenyl)ethenyl]phenol , CAS No.836-44-2

CAS: 836-44-2 Cat. No.: E668929 Formule: C₁₄H₁₃NO Poids moléculaire: 211.26 PubChem CID: 5375988

Synonyms

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

Storage

Room temperature

Specifications

Synonymes

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

Conditions de stockage de stockage

Room temperature

Propriétés du produit

• ALogP: 3.2

Noms et identifiants

• Sourires canoniques: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)N
• IUPAC Name: 4-[(E)-2-(4-aminophenyl)ethenyl]phenol
• InChIKey: HGDVTCNLNRCTHW-OWOJBTEDSA-N
• INCHI: 1S/C14H13NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,16H,15H2/b2-1+
• Isomères SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)N
• PubChem CID: 5375988
• Poids moléculaire: 211.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 211.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.1 Da
• Monoisotopic Mass: 211.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 836-44-2, the molecular formula is C14H13NO, and the molecular weight is 211.26 g/mol. InChIKey HGDVTCNLNRCTHW-OWOJBTEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.