o-Dianisidine dihydrochloride - ≥96% , CAS No.20325-40-0

CAS: 20325-40-0 Cat. No.: D278938 Molecular Weight: 317.21 Beilstein Registry Number: 3917996 EC Number: 243-737-5

GRADE & PURITY ≥96%

Synonyms

[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride | MFCD00012488 | o-Dianisidine (dihydrochloride) | UXTIAFYTYOEQHV-UHFFFAOYSA-N | D1657 | Q27287518 | 3,3'-Dimethoxybenzidine dihydrochloride;C.I. Disperse Black 6 dihydrochloride | 4-(4-amino-

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

[1, 1'-Biphenyl]-4, 4'-diamine, 3, 3'-dimethoxy-, dihydrochloride | MFCD00012488 | o-Dianisidine (dihydrochloride) | UXTIAFYTYOEQHV-UHFFFAOYSA-N | D1657 | Q27287518 | 3, 3'-Dimethoxybenzidine dihydrochloride;C.I. Disperse Black 6 dihydrochloride | 4-(4-amino-

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504753826
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753826
• Canonical Smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
• IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride
• InChIKey: UXTIAFYTYOEQHV-UHFFFAOYSA-N
• INCHI: 1S/C14H16N2O2.2ClH/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;2*1H
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
• WGK Germany: 3
• RTECS: DD1050000
• UN Number: 3261
• Packing Group: III
• Molecular Weight: 317.21
• Beilstein: 3917996
• Reaxy-Rn: 3917996

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Organic nitrogen compound - Organic salt - Primary amine - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Associated Targets(Human)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and ethanol, slightly soluble in ether.
• Melt Point(°C): 268°C
• Molecular Weight: 317.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.075 Da
• Monoisotopic Mass: 316.075 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 20
• 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: 3

XLogP3

References

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