3,4-Dimethyldiphenylamine - ≥98% , CAS No.17802-36-7

CAS: 17802-36-7 Cat. No.: D102487 Summenformel: C₁₄H₁₅N Molekulargewicht: 197.28 EG-Nummer: 679-857-3

GRADE & PURITY ≥98%

Synonyms

DTXSID70566087 | SCHEMBL4826082 | N-phenyl-3,4-dimethylphenylamine | 3,4-dimethyl-N-phenylaniline | 3,4-dimethyl-N-phenyl-aniline | D3845 | SY005742 | A812334 | DS-13914 | Phenyl(3,4-xylyl)amine | SB66494 | N-Phenyl-3,4-xylidine | 3,4-Dimethyldiphenylamin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID70566087 | SCHEMBL4826082 | N-phenyl-3,4-dimethylphenylamine | 3,4-dimethyl-N-phenylaniline | 3,4-dimethyl-N-phenyl-aniline | D3845 | SY005742 | A812334 | DS-13914 | Phenyl(3,4-xylyl)amine | SB66494 | N-Phenyl-3,4-xylidine | 3,4-Dimethyldiphenylamin

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488198772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198772
• Kanonisches Lächeln: CC1=C(C=C(C=C1)NC2=CC=CC=C2)C
• IUPAC Name: 3,4-dimethyl-N-phenylaniline
• InChIKey: ACWJKFBBRPYPLL-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
• Isomere SMILES: CC1=C(C=C(C=C1)NC2=CC=CC=C2)C
• Molekulargewicht: 197.28
• Reaxy-Rn: 2692817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Aniline and substituted anilines Primary aromatic amines Secondary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Aniline or substituted anilines - Primary aromatic amine - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 55°C
• Molekulargewicht: 197.270 g/mol
• XLogP3: 4.700
• 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: 184.000
• 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

Häufig gestellte Fragen

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 17802-36-7, the molecular formula is C14H15N, and the molecular weight is 197.28 g/mol. InChIKey ACWJKFBBRPYPLL-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.