m,m'-Ditolylamine - ≥98% , CAS No.626-13-1

CAS: 626-13-1 Cat. No.: D121319 Fórmula: C₁₄H₁₅N Peso molecular: 197.28 Beilstein Registry Number: 12(2)467 Número CE: 678-912-9

GRADE & PURITY ≥98%

Synonyms

AS-37665 | m,m'-Ditolylamine | D1512 | Di-m-tolylamine | Di-m-tolyl-amine | Dim-tolylamine | 3-Methyl-N-(3-methylphenyl)-benzenamine | DTXSID20426804 | SY049123 | Benzenamine, 3-methyl-N-(3-methylphenyl)- | SCHEMBL1009206 | A833881 | AMY33507 | MFCD000593

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-37665 | m,m'-Ditolylamine | D1512 | Di-m-tolylamine | Di-m-tolyl-amine | Dim-tolylamine | 3-Methyl-N-(3-methylphenyl)-benzenamine | DTXSID20426804 | SY049123 | Benzenamine, 3-methyl-N-(3-methylphenyl)- | SCHEMBL1009206 | A833881 | AMY33507 | MFCD000593

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488196054
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196054
• Sorrisos canónicos: CC1=CC(=CC=C1)NC2=CC=CC(=C2)C
• IUPAC Name: 3-methyl-N-(3-methylphenyl)aniline
• InChIKey: CWVPIIWMONJVGG-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10,15H,1-2H3
• SMILES isoméricas: CC1=CC(=CC=C1)NC2=CC=CC(=C2)C
• Peso molecular: 197.28
• Beilstein: 12(2)467
• Reaxy-Rn: 2210250
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210250&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 Primary aromatic amines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Primary aromatic amine - 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Índice de refração: 1.6210 to 1.6240
• Ponto de inflamação (°F): >110℃(230°F)
• Ponto de inflamação (°C): >110℃(230°F)
• Ponto de ebulição (°C): 200°C/24mmHg
• Ponto de fusão (°C): -12°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: 170.000
• 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

Referências

1. Su Zhou, Jiaying Yang, Yani Pan, Xinyu Feng, Hao Hu, Shicheng Ma, Cansong Ou, Fangyuan Fan, Shuying Gong, Yuefei Wang, Ping Chen, Qiang Chu.  (2023)  Pu’ er raw tea extract alleviates DSS-induced colitis in mice by restoring intestinal barrier function and maintaining gut microbiota homeostasis.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102750]

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 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 626-13-1, the molecular formula is C14H15N, and the molecular weight is 197.28 g/mol. InChIKey CWVPIIWMONJVGG-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.