3,3′,5,5′-Tetramethylbenzidine dihydrochloride hydrate - Moligand™, ≥98% , CAS No.207738-08-7

CAS: 207738-08-7 Cat. No.: T140620 Molecular Weight: 313.27 (anhydrous basis) EC Number: 688-511-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

3,3 inverted exclamation marka,5,5 inverted exclamation marka-Tetramethylbenzidine dihydrochloride hydrate | 3,3',5,5'-TETRAMETHYL-[1,1'-BIPHENYL]-4,4'-DIAMINE 2HCL HYDRATE | MFCD00150104 | 3,3',5,5'-Tetramethyl-[1,1'-biphenyl]-4,4'-diamine hydrochloride

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Excellent colorimetric substrate for detection of horseradish peroxidase labelled probes and is used with peroxidase and peroxidase coupled systems, particularly in ELISA techniques, blue result

Specifications

Synonyms

3, 3 inverted exclamation marka, 5, 5 inverted exclamation marka-Tetramethylbenzidine dihydrochloride hydrate | 3, 3', 5, 5'-TETRAMETHYL-[1, 1'-BIPHENYL]-4, 4'-DIAMINE 2HCL HYDRATE | MFCD00150104 | 3, 3', 5, 5'-Tetramethyl-[1, 1'-biphenyl]-4, 4'-diamine hydrochloride

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528757835
• Canonical Smiles: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C.O.Cl.Cl
• IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydrate;dihydrochloride
• InChIKey: KVCWTKDFVVSVSJ-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2.2ClH.H2O/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;;/h5-8H,17-18H2,1-4H3;2*1H;1H2
• Isomeric SMILES: CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C.O.Cl.Cl
• WGK Germany: 3
• Molecular Weight: 313.27 (anhydrous basis)

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: Benzidines
• Alternative Parents: m-Xylenes Aniline and substituted anilines Primary amines Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - M-xylene - Xylene - Aniline or substituted anilines - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO (~1.7 mg/ml), and 1:300 DMSO:PBS (pH 7.2) (0.03 mg/ml).
• Sensitivity: Moisture,Light & Air Sensitive.
• Molecular Weight: 331.300 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 330.127 Da
• Monoisotopic Mass: 330.127 Da
• Topological Polar Surface Area: 53.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 226.000
• 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: 4

XLogP3

References

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