4-Methyldiphenylamine - ≥98% , CAS No.620-84-8

CAS: 620-84-8 Cat. No.: M102488 Fórmula: C₁₃H₁₃N Peso molecular: 183.25 Beilstein Registry Number: 12(4)1877 Número EC: 210-655-6

GRADE & PURITY ≥98%

Synonyms

EINECS 210-655-6 | Phenyl-p-tolylamine | DTXSID5060724 | M1173 | W-105050 | 4-Methyl-N-phenylbenzenamine | Benzenamine, 4-methyl-N-phenyl-;4-Methyl-N-phenylaniline;N-Phenyl-p-toluidine | 8LQZ8N5BSL | HMS2337O21 | BCP34298 | p-Toluidine, N-phenyl- | SY0057

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

application：

4-Methyldiphenylamine is used as a syntheses material intermediates as well as OLED materials. It can be used in agrochemical, pharmaceutical and dyestuff field.

Specifications

Sinónimos

EINECS 210-655-6 | Phenyl-p-tolylamine | DTXSID5060724 | M1173 | W-105050 | 4-Methyl-N-phenylbenzenamine | Benzenamine, 4-methyl-N-phenyl-;4-Methyl-N-phenylaniline;N-Phenyl-p-toluidine | 8LQZ8N5BSL | HMS2337O21 | BCP34298 | p-Toluidine, N-phenyl- | SY0057

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488181548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181548

Sonrisas canónicas

CC1=CC=C(C=C1)NC2=CC=CC=C2

IUPAC Name

4-methyl-N-phenylaniline

InChIKey

AGHYMXKKEXDUTA-UHFFFAOYSA-N

INCHI

1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3

Isómeros SMILES

CC1=CC=C(C=C1)NC2=CC=CC=C2

Peso molecular

183.25

Beilstein

12(4)1877

Reaxy-Rn

2208462

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208462&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

Objetivos asociados (humanos)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water. Soluble in benzene, toluene,methanol, ethanol
• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 311°F
• Punto de inflamación (°C): 155°C
• Punto de ebullición (°C): 317°C
• Punto de fusión (°C): 90°C
• Peso molecular: 183.250 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 153.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 620-84-8, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey AGHYMXKKEXDUTA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.