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

CAS: 41602-56-6 Cat. No.: D589072 분자식: C₉H₁₁NO₂ 분자량: 165.19 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 508809282
• 정식 스마일: 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
• 이성체 SMILES: CN(C)C1=CC(=C(C=C1)C=O)O
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

HepG2 (196354 Activities)

Explore this target

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

작용 메커니즘

화학 및 물리적 특성

• 감도: air sensitive
• 분자량: 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

참고 문헌

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]