3,3′,5,5′-Tetramethylbenzidine - ≥98% , CAS No.54827-17-7

CAS: 54827-17-7 Cat. No.: T100415 Formula: C₁₆H₂₀N₂ Molecular Weight: 240.35 EC Number: 259-364-6 PubChem CID: 41206

GRADE & PURITY ≥98%

Synonyms

3,3',5,5'-Tetramethylbenzidine, >=98.0% (NT) | BP-27868 | 3,5,3',5'-Tetramethylbenzidine | 3,3 OE,5,5 OE-Tetramethylbenzidine pound>>BM blue; Sure Blue TMB; TMB Blotting Plus; TMB substrate pound>>TMB | TMB | BCP29480 | SY012853 | AKOS015951007 | SMR00130

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3,3',5,5'-Tetramethylbenzidine, >=98.0% (NT) | BP-27868 | 3,5,3',5'-Tetramethylbenzidine | 3,3 OE,5,5 OE-Tetramethylbenzidine pound>>BM blue; Sure Blue TMB; TMB Blotting Plus; TMB substrate pound>>TMB | TMB | BCP29480 | SY012853 | AKOS015951007 | SMR00130

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

508808623

Canonical Smiles

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

IUPAC Name

4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline

InChIKey

UAIUNKRWKOVEES-UHFFFAOYSA-N

INCHI

1S/C16H20N2/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

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)N)C

WGK Germany

3

RTECS

DV2300000

PubChem CID

41206

Molecular Weight

240.35

Reaxy-Rn

2808541

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 Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - M-xylene - Xylene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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: an aromatic compound - a dye

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)

AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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TNF Tclin TNF-alpha (1897 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 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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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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POLI Tchem DNA polymerase iota (116820 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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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

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Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Very soluble in Methanol
• Sensitivity: Light Sensitive,Hygroscopic
• x_melt_point_char: 168-171°C
• Molecular Weight: 240.340 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.163 Da
• Monoisotopic Mass: 240.163 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 18
• 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: 1