N-Methyldiphenylamine - ≥98% , CAS No.552-82-9

CAS: 552-82-9 Cat. No.: M103618 Peso molecular: 183.25 Beilstein Registry Number: 12(3)290 Número EC: 209-023-2

GRADE & PURITY ≥98%

Synonyms

Benzenamine, N-methyl-N-phenyl- | Diphenylmethylamine | N-Methy Ldipheny Lamine | AI3-02479 | N-Methyl-N-phenylaniline | N-methyl-N-phenyl-aniline | METHYLDIPHENYLAMINE | methyl-diphenyl-amine | J-523673 | B28ZGH99IH | N-METHYL-N-PHENYLBENZENAMINE | methy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzenamine, N-methyl-N-phenyl- | Diphenylmethylamine | N-Methy Ldipheny Lamine | AI3-02479 | N-Methyl-N-phenylaniline | N-methyl-N-phenyl-aniline | METHYLDIPHENYLAMINE | methyl-diphenyl-amine | J-523673 | B28ZGH99IH | N-METHYL-N-PHENYLBENZENAMINE | methy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752060
• Sonrisas canónicas: CN(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: N-methyl-N-phenylaniline
• InChIKey: DYFFAVRFJWYYQO-UHFFFAOYSA-N
• INCHI: 1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• Isómeros SMILES: CN(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 183.25
• Beilstein: 12(3)290
• Reaxy-Rn: 2208460
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyldiarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the 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

• Sensibilidad: air sensitive
• Índice de refracción: 1.623
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 293°C
• Peso molecular: 183.250 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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

Referencias

1. Qiqiong Ren, Jian Zhang, Yilin Mao, Maxim S. Molokeev, Guojun Zhou, Xian-Ming Zhang.  (2022)  Ligand Engineering Triggered Efficiency Tunable Emission in Zero-Dimensional Manganese Hybrids for White Light-Emitting Diodes.  Nanomaterials,  12  (18): (3142).  [PMID:36144929] [10.3390/nano12183142]