Neutral red solution - 4% in water , CAS No.553-24-2

CAS: 553-24-2 Cat. No.: N131022 Fórmula: C₁₅H₁₇CIN₄ Peso molecular: 288.78 Número EC: 209-035-8

GRADE & PURITY 4% in water

Synonyms

EINECS 209-035-8 | Phenazine, 3-amino-7-(dimethylamino)-2-methyl-, hydrochloride | NEUTRAL RED | C.I. 50040 | NeutralRed | AI3-60242 | HY-D0166A | N0315 | N-2527 | C.I. Basic Red 5, monohydrochloride (VAN) | Michrome No. 226 | N0112 | C15H17N4Cl | Neutral

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 209-035-8 | Phenazine, 3-amino-7-(dimethylamino)-2-methyl-, hydrochloride | NEUTRAL RED | C.I. 50040 | NeutralRed | AI3-60242 | HY-D0166A | N0315 | N-2527 | C.I. Basic Red 5, monohydrochloride (VAN) | Michrome No. 226 | N0112 | C15H17N4Cl | Neutral

Especificaciones y pureza

4% in water

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl

IUPAC Name

8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride

InChIKey

PGSADBUBUOPOJS-UHFFFAOYSA-N

INCHI

1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H

Isómeros SMILES

CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl

Peso molecular

288.78

Reaxy-Rn

3918740

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3918740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: Dialkylarylamines Pyrazines Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyrazine - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: hydrochloride

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

Propiedades químicas y físicas

• Punto de fusión (°C): 290°C
• Peso molecular: 288.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 288.114 Da
• Monoisotopic Mass: 288.114 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 319.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 553-24-2, the molecular formula is C15H17ClN4, and the molecular weight is 288.78 g/mol. InChIKey PGSADBUBUOPOJS-UHFFFAOYSA-N.

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.