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

CAS: 41602-56-6 Cat. No.: D589072 分子式: C₉H₁₁NO₂ 分子量: 165.19 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508809282

カノニカル・スマイル

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

異性体SMILES

CN(C)C1=CC(=C(C=C1)C=O)O

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

HepG2 (196354 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: air sensitive
• 分子量: 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