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

CAS: 626-13-1 Cat. No.: D121319 Formule: C₁₄H₁₅N Poids moléculaire: 197.28 Beilstein Registry Number: 12(2)467 Numéro CE: 678-912-9

QUALITÉ & PURETÉ ≥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

Room temperature,Argon charged

Shipped In

Normal

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488196054

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196054

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.6210 to 1.6240
• Point d'éclair (°F): >110℃(230°F)
• Point d'éclair (°C): >110℃(230°F)
• Point d'ébullition (°C): 200°C/24mmHg
• Point de fusion (°C): -12°C
• Poids moléculaire: 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

Foire aux questions

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.