3-Methyldiphenylamine - ≥98% , CAS No.1205-64-7

CAS: 1205-64-7 Cat. No.: M102489 Fórmula: CH₃C₆H₄NHC₆H₅ Peso molecular: 183.25 Beilstein Registry Number: 12857 Número CE: 214-885-8

GRADE & PURITY ≥98%

Synonyms

METHYL4-(CHLOROSULFONYL)-2,5-DIMETHYL-3-FUROATE | STR05109 | N-Phenyl-m-toluidine;3-Methyl-N-phenylaniline;Benzenamine, 3-methyl-N-phenyl- | A804536 | phenyl-m-tolylamine | I10224 | 3-methyl phenylphenylamine | 3-methylphenylaniline | 3-methyl diphenylami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

METHYL4-(CHLOROSULFONYL)-2,5-DIMETHYL-3-FUROATE | STR05109 | N-Phenyl-m-toluidine;3-Methyl-N-phenylaniline;Benzenamine, 3-methyl-N-phenyl- | A804536 | phenyl-m-tolylamine | I10224 | 3-methyl phenylphenylamine | 3-methylphenylaniline | 3-methyl diphenylami

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488182006
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182006
• Sorrisos canónicos: CC1=CC(=CC=C1)NC2=CC=CC=C2
• IUPAC Name: 3-methyl-N-phenylaniline
• InChIKey: TWPMMLHBHPYSMT-UHFFFAOYSA-N
• INCHI: 1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
• SMILES isoméricas: CC1=CC(=CC=C1)NC2=CC=CC=C2
• WGK Alemanha: 3
• Peso molecular: 183.25
• Beilstein: 12857
• Reaxy-Rn: 2208461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Alvos associados (não humanos)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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 ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de congelamento (°C): 27 °C
• Índice de refração: 1.635
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 315°C
• Ponto de fusão (°C): 27 °C
• Peso molecular: 183.250 g/mol
• XLogP3: 3.800
• 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: 161.000
• 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

Perguntas frequentes

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.

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 1205-64-7, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey TWPMMLHBHPYSMT-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.