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

CAS: 119-90-4 Cat. No.: D104002 分子式: C₁₄H₁₆N₂O₂ 分子量: 244.29 EC番号: 204-355-4

グレード＆純度 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

仕様

同義語

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

仕様と純度

analytical standard

保管条件

Protected from light,Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

パブケム・シド

528757800

カノニカル・スマイル

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

異性体SMILES

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

UN番号

2811

包装グループ

I

分子量

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

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

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 引火点（°C）: 206°C
• 融点（°C）: 136-140°C
• 分子量: 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