Basic Red 46 - strength:250% , CAS No.12221-69-1

CAS: 12221-69-1 Cat. No.: B586675 Formula: C₁₈H₂₁BrN₆ Peso molecolare: 401.31 Numero EC: 602-156-0

QUALITÀ & PUREZZA strength:250%

Synonyms

C.I. Basic Red 46 | C.I.110825 | SCHEMBL2768865 | BASICRED46 | Basic red 46 | DTXSID30879822 | 1H-1,2,4-Triazolium, 1,4-dimethyl-5-[(E)-2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, bromide (1:1) | AKOS037643592 | Q27261601 | 58KJM7T349 | Cationic Re

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

C.I. Basic Red 46 | C.I.110825 | SCHEMBL2768865 | BASICRED46 | Basic red 46 | DTXSID30879822 | 1H-1,2,4-Triazolium, 1,4-dimethyl-5-[(E)-2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, bromide (1:1) | AKOS037643592 | Q27261601 | 58KJM7T349 | Cationic Re

Specifiche e purezza

strength:250%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

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Nomi e identificatori

Pubchem Sid

528774245

Sorrisi canonici

CN1C(=[N+](C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]

IUPAC Name

N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-methylaniline;bromide

InChIKey

SYHRPJPCZWZVSR-UHFFFAOYSA-M

INCHI

1S/C18H21N6.BrH/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1

Isomeri SMILES

CN1C(=[N+](C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]

Peso molecolare

401.31

Reaxy-Rn

22410293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22410293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Triazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbenzamine - Benzylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Azole - Heteroaromatic compound - 1,2,4-triazole - Azo compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic bromide salt - Organonitrogen compound - Amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive；Moisture sensitive
• Peso molecolare: 401.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 400.101 Da
• Monoisotopic Mass: 400.101 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 400.000
• 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