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3,3'-Dimethoxybenzidine - analytical standard, high purity , CAS No.119-90-4
Basic Description
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
Specifications & Purity
analytical standard
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
INCHI
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
InChIKey
JRBJSXQPQWSCCF-UHFFFAOYSA-N
Smiles
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Isomeric SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
UN Number
2811
Packing Group
I
Molecular Weight
244.29
Reaxy-Rn
1879884
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879884&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Flash Point(°C)
206°C
Melt Point(°C)
136-140°C
Molecular Weight
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
Citations of This Product
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77 Citations
G2101107