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

CAS: 2373-98-0 Cat. No.: D122452 분자식: C₁₂H₁₂N₂O₂ 분자량: 216.24 Beilstein Registry Number: 13(2)502 EC 번호: 679-800-2

등급 & 순도 ≥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

Room temperature,Argon charged

Shipped In

Normal

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

508808599

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

RTECS

DV4900000

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Benzidines
          • Level6 3,3'-disubstituted benzidines

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

관련 대상(인간)

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Discover Target: NR3C1

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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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)

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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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관련 대상(비인간)

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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Soluble in Dimethylformamide
• 감도: air sensitive
• 녹는점(°C): 292°C
• 분자량: 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