Di-p-tolylamine - ≥97% , CAS No.620-93-9

CAS: 620-93-9 Cat. No.: D102485 Peso molecular: 197.28 Beilstein Registry Number: 12(3)2033 Número EC: 210-659-8

GRADE & PURITY ≥97%

Synonyms

4,4'-Dimethyldiphenylamine | 4,4-Dimethyldiphenylamine | GS-3443 | N,N-di(p-toluyl)amine | bis(4-tolyl) amine | IFLab1_001787 | HMS1417B05 | 4,4`-Dimethyldiphenylamine | 4-Methyl-N-(4-methylphenyl)aniline | SY005743 | EINECS 210-659-8 | A833581 | Benzenam

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

4,4'-Dimethyldiphenylamine is a reagent used in the comparative studies of the analgesic and anti-inflammatory properties of N-phenylanthranilic acids and mefenamic acid, and the anti parasitic activities of some substituted diphenylamines.

Specifications

Sinónimos

4, 4'-Dimethyldiphenylamine | 4, 4-Dimethyldiphenylamine | GS-3443 | N, N-di(p-toluyl)amine | bis(4-tolyl) amine | IFLab1_001787 | HMS1417B05 | 4, 4`-Dimethyldiphenylamine | 4-Methyl-N-(4-methylphenyl)aniline | SY005743 | EINECS 210-659-8 | A833581 | Benzenam

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754360
• Sonrisas canónicas: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
• IUPAC Name: 4-methyl-N-(4-methylphenyl)aniline
• InChIKey: RHPVVNRNAHRJOQ-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
• WGK Alemania: 3
• Peso molecular: 197.28
• Beilstein: 12(3)2033
• Reaxy-Rn: 2210252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Sensibilidad: Light&Air sensitive
• Punto de ebullición (°C): 330°C
• Punto de fusión (°C): 78-82°C
• Peso molecular: 197.270 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 154.000
• 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: 1