4-Benzylidenaminophenol - ≥98% , CAS No.588-53-4

CAS: 588-53-4 Cat. No.: B152811 Summenformel: C₁₃H₁₁NO Molekulargewicht: 197.24 EG-Nummer: 209-620-8

GRADE & PURITY ≥98%

Synonyms

Benzylidene-4-hydroxyaniline | 4-[(phenylmethylene)amino]phenol | 4-(Benzylideneamino)phenol | Phenol, 4-[(E)-(phenylmethylene)amino]- | 4-(Benzalamino)phenol | N-Benzylidene-4-hydroxyaniline | 4-Benzylideneaminophenol | 4-Hydroxy-N-benzylideneaniline | 4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Benzylidene-4-hydroxyaniline | 4-[(phenylmethylene)amino]phenol | 4-(Benzylideneamino)phenol | Phenol, 4-[(E)-(phenylmethylene)amino]- | 4-(Benzalamino)phenol | N-Benzylidene-4-hydroxyaniline | 4-Benzylideneaminophenol | 4-Hydroxy-N-benzylideneaniline | 4

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181362

Kanonisches Lächeln

C1=CC=C(C=C1)C=NC2=CC=C(C=C2)O

IUPAC Name

4-(benzylideneamino)phenol

InChIKey

BVTLIIQDQAUXOI-UHFFFAOYSA-N

INCHI

1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H

Isomere SMILES

C1=CC=C(C=C1)C=NC2=CC=C(C=C2)O

RTECS

SJ7650000

Molekulargewicht

197.24

Reaxy-Rn

2209415

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209415&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Shiff bases Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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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HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 184.0-187.0 °C
• Molekulargewicht: 197.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084 Da
• Monoisotopic Mass: 197.084 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 201.000
• 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