Basic Red 51 - ≥98% , CAS No.12270-25-6

CAS: 12270-25-6 Cat. No.: B352800 Formula: C₁₃H₁₈ClN₅ Molecular Weight: 279.77 EC Number: 602-845-6

GRADE & PURITY ≥98%

Synonyms

BASIC RED 51 [INCI] | COLOREX BR51 | 1H-Imidazolium,2-[2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, chloride (1:1) | vermelho basico 51 | 1H-Imidazolium, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, chloride (1:1) | Basic Red 51 | 4-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BASIC RED 51 [INCI] | COLOREX BR51 | 1H-Imidazolium,2-[2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, chloride (1:1) | vermelho basico 51 | 1H-Imidazolium, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-1,3-dimethyl-, chloride (1:1) | Basic Red 51 | 4-

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

488188398

Canonical Smiles

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.[Cl-]

IUPAC Name

4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;chloride

InChIKey

NZDXSXLYLMHYJA-UHFFFAOYSA-M

INCHI

1S/C13H18N5.ClH/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;/h5-10H,1-4H3;1H/q+1;/p-1

Isomeric SMILES

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.[Cl-]

Molecular Weight

279.77

Reaxy-Rn

11324032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11324032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines N-substituted imidazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

• Molecular Weight: 279.770 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.125 Da
• Monoisotopic Mass: 279.125 Da
• Topological Polar Surface Area: 36.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 273.000
• 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: 2

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 12270-25-6, the molecular formula is C13H18ClN5, and the molecular weight is 279.77 g/mol. InChIKey NZDXSXLYLMHYJA-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.