Astrazon Pink FG , CAS No.3648-36-0

CAS: 3648-36-0 Cat. No.: A353936 Fórmula: C₂₂H₂₆Cl₂N₂ Peso molecular: 389.36 Número EC: 222-887-5

Synonyms

Cathilon Pink FGH | Basic Red 13 | Aizen Cathilon Pink FGH | Aizen Cathilon Pink FG | C.I. Basic Red 13 | Basic rose 2S | Stenacrile Pink G | Nabor Brilliant Pink 2B | Genacryl Pink G | Astrazon Rose FG | Astrazone pink FG | Cationic Rose 2S | ASTRAZONP |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Cathilon Pink FGH | Basic Red 13 | Aizen Cathilon Pink FGH | Aizen Cathilon Pink FG | C.I. Basic Red 13 | Basic rose 2S | Stenacrile Pink G | Nabor Brilliant Pink 2B | Genacryl Pink G | Astrazon Rose FG | Astrazone pink FG | Cationic Rose 2S | ASTRAZONP |

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

528776275

Sonrisas canónicas

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]

IUPAC Name

N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride

InChIKey

ZTBANYZVKCGOKD-UHFFFAOYSA-M

INCHI

1S/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1

Isómeros SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]

Peso molecular

389.36

Reaxy-Rn

4076121

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4076121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Styrenes Dialkylarylamines Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Organic chloride salt - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Propiedades químicas y físicas

• Peso molecular: 389.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 388.147 Da
• Monoisotopic Mass: 388.147 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3