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

CAS: 626-13-1 Cat. No.: D121319 分子式: C₁₄H₁₅N 分子量: 197.28 Beilstein Registry Number: 12(2)467 EC番号: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488196054

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 屈折率: 1.6210 to 1.6240
• 引火点（°F）: >110℃(230°F)
• 引火点（°C）: >110℃(230°F)
• 沸点（°C）: 200°C/24mmHg
• 融点（°C）: -12°C
• 分子量: 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

よくある質問

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.