4-(Dimethylamino)-2-hydroxybenzaldehyde - ≥98% , CAS No.41602-56-6

CAS: 41602-56-6 Cat. No.: D589072 Summenformel: C₉H₁₁NO₂ Molekulargewicht: 165.19 EG-Nummer: 876-113-1

GRADE & PURITY ≥98%

Synonyms

A825602 | AKOS008901362 | 4-(Dimethylamino)salicylaldehyde | DTXSID30431126 | 4-Dimethylamino-2-hydroxybenzaldehyde | 4-(dimethylamino)-2-hydroxybenzaldehyde | 4-(Dimethylamino)-2-hydroxy-benzaldehyde | FT-0616762 | 4-Dimethylamino-2-oxybenzaldehyd | AS-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A825602 | AKOS008901362 | 4-(Dimethylamino)salicylaldehyde | DTXSID30431126 | 4-Dimethylamino-2-hydroxybenzaldehyde | 4-(dimethylamino)-2-hydroxybenzaldehyde | 4-(Dimethylamino)-2-hydroxy-benzaldehyde | FT-0616762 | 4-Dimethylamino-2-oxybenzaldehyd | AS-2

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508809282
• Kanonisches Lächeln: CN(C)C1=CC(=C(C=C1)C=O)O
• IUPAC Name: 4-(dimethylamino)-2-hydroxybenzaldehyde
• InChIKey: KURCTZNCAHYQOV-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-10(2)8-4-3-7(6-11)9(12)5-8/h3-6,12H,1-2H3
• Isomere SMILES: CN(C)C1=CC(=C(C=C1)C=O)O
• Molekulargewicht: 165.19
• Reaxy-Rn: 2718119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: m-Aminophenols Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Aminophenol - M-aminophenol - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Tertiary amine - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

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POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Molekulargewicht: 165.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

Referenzen

1. Bin Yidong, Huang Lixian, Li Caiying, Zhao Jingjin, Hu Shengqiang, Zhao Shulin, Huang Yong, Zhang Liangliang.  (2026)  Photoacoustic Probe for Rapidly Recognizing Superoxide Anion Affording Visualized Tracing of Ferroptosis-Mediated Acute Liver Injury.  ANALYTICAL CHEMISTRY,  98  (30): (22418-22428).  [PMID:42473184] [10.1021/acs.analchem.6c02848]