3,3'-Dimethoxybenzidine - analytical standard , CAS No.119-90-4

CAS: 119-90-4 Cat. No.: D104002 분자식: C₁₄H₁₆N₂O₂ 분자량: 244.29 EC 번호: 204-355-4

등급 & 순도 Analytical standard

Synonyms

DSS | 3,3'-Dimethoxybenzidin [Czech] | Benzidine,3'-dimethoxy- | Cibacete Diazo Navy Blue 2B | Diacelliton fast grey G | Diacel Navy DC | Setacyl Diazo Navy R | Azogene Fast Blue B Salt | Cellitazol bn | DIMETHOXYBENZIDINE, 3,3'- | Hiltosal Fast Blue B Sa

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

사양

동의어

DSS | 3,3'-Dimethoxybenzidin [Czech] | Benzidine,3'-dimethoxy- | Cibacete Diazo Navy Blue 2B | Diacelliton fast grey G | Diacel Navy DC | Setacyl Diazo Navy R | Azogene Fast Blue B Salt | Cellitazol bn | DIMETHOXYBENZIDINE, 3,3'- | Hiltosal Fast Blue B Sa

사양 및 순도

analytical standard

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

Pubchem Sid

528757800

정식 스마일

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

IUPAC Name

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline

InChIKey

JRBJSXQPQWSCCF-UHFFFAOYSA-N

INCHI

1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3

이성체 SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

UN 번호

2811

포장 그룹

I

분자량

244.29

Reaxy-Rn

1879884

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879884&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: Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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: a small molecule

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)

AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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TNF Tclin TNF-alpha (1897 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 발화점(°C): 206°C
• 녹는점(°C): 136-140°C
• 분자량: 244.290 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.121 Da
• Monoisotopic Mass: 244.121 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 236.000
• 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