3,3'-Dihidroxibenzidina - ≥98% , CAS No.2373-98-0

CAS: 2373-98-0 Cat. No.: D122452 Fórmula: C₁₂H₁₂N₂O₂ Peso molecular: 216.24 Beilstein Registry Number: 13(2)502 Número CE: 679-800-2

GRAU & PUREZA ≥98%

Synonyms

InChI=1/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2 | 3,3'-dihydroxy-4,4'-diamino-bipheny | SY052119 | 3,3'-Dihydroxy-4,4'-diaminobiphenyl | 3,3'-Dihydroxy-4,4'-diamino-biphenyl | CCRIS 9225 | Q27285684 | ZGDMDBHLKNQPSD-UHFF

Storage

Carregado com árgon

Shipped In

Normal

Especificações

Sinónimos

InChI=1/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2 | 3,3'-dihydroxy-4,4'-diamino-bipheny | SY052119 | 3,3'-Dihydroxy-4,4'-diaminobiphenyl | 3,3'-Dihydroxy-4,4'-diamino-biphenyl | CCRIS 9225 | Q27285684 | ZGDMDBHLKNQPSD-UHFF

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Carregado com árgon

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808599

Sorrisos canónicos

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N

IUPAC Name

2-amino-5-(4-amino-3-hydroxyphenyl)phenol

InChIKey

ZGDMDBHLKNQPSD-UHFFFAOYSA-N

INCHI

1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2

SMILES isoméricas

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N

RTECS

DV4900000

Peso molecular

216.24

Beilstein

13(2)502

Reaxy-Rn

2725972

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Benzidines
          • Level6 3,3'-disubstituted benzidines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Benzidines
• Direct Parent: 3,3'-disubstituted benzidines
• Alternative Parents: o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Aminophenol - O-aminophenol - Aniline or substituted anilines - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic nitrogen compound - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
• 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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Alvos associados (não humanos)

Cruzipain (33337 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Rattus norvegicus (775804 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Soluble in Dimethylformamide
• Sensibilidade: air sensitive
• Ponto de fusão (°C): 292°C
• Peso molecular: 216.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• 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