Bis(3,4-dimethylphenyl)amine - ≥99% , CAS No.55389-75-8

CAS: 55389-75-8 Cat. No.: D290592 Peso molecular: 225.32900 Número EC: 835-800-6

GRADE & PURITY ≥99%

Synonyms

A8020 | Benzenamine, N-(3,4-dimethylphenyl)-3,4-dimethyl- | B5662 | AM82818 | SB66628 | Q-102382 | SCHEMBL1155655 | MFCD01312229 | 3,3',4,4'-tetramethyldiphenylamine | Bis-(3,4-dimethylphenyl)amine | Bis-(3,4-dimethyl-phenyl)-amine | bis(3,4-dimethylpheny

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A8020 | Benzenamine, N-(3, 4-dimethylphenyl)-3, 4-dimethyl- | B5662 | AM82818 | SB66628 | Q-102382 | SCHEMBL1155655 | MFCD01312229 | 3, 3', 4, 4'-tetramethyldiphenylamine | Bis-(3, 4-dimethylphenyl)amine | Bis-(3, 4-dimethyl-phenyl)-amine | bis(3, 4-dimethylpheny

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190753
• Sonrisas canónicas: CC1=C(C=C(C=C1)NC2=CC(=C(C=C2)C)C)C
• IUPAC Name: N-(3,4-dimethylphenyl)-3,4-dimethylaniline
• InChIKey: IMQQPEKHINRTCE-UHFFFAOYSA-N
• INCHI: 1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
• Isómeros SMILES: CC1=C(C=C(C=C1)NC2=CC(=C(C=C2)C)C)C
• Peso molecular: 225.32900
• Reaxy-Rn: 3278172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3278172&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - 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 o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

• Sensibilidad: Sensitive to air
• Punto de ebullición (°C): 367ºC at 760 mmHg
• Punto de fusión (°C): 110 °C
• Peso molecular: 225.330 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.152 Da
• Monoisotopic Mass: 225.152 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 214.000
• 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