ニュートラル・レッド - 急性冠症候群 , CAS No.553-24-2

CAS: 553-24-2 Cat. No.: N108712 分子式: C₁₅H₁₇CIN₄ 分子量: 288.78 EC番号: 209-035-8

グレード＆純度 ACS

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

ノーマル

仕様

同義語

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

仕様と純度

急性冠症候群

保管条件

Room temperature

入荷

ノーマル

等級

ACS

名前と識別子

パブケム・シド

504752062

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752062

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 融点（°C）: 290°C
• 分子量: 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

よくある質問

What does ACS mean?

ACS is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. ACS is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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.