4-[2-(4-Aminophenyl)Ethynyl]Aniline - ≥95% , CAS No.6052-15-9

CAS: 6052-15-9 Cat. No.: E304115 Summenformel: C₁₄H₁₂N₂ Molekulargewicht: 208.26

GRADE & PURITY ≥95%

Synonyms

SCHEMBL864945 | 9M-704 | FT-0768581 | MFCD00458961 | DTXSID50363394 | YSZC057 | BDBM50476290 | Diaminotolan | J-513241 | Bis(4-aminophenyl)acetylene | Benzenamine,4,4'-(1,2-ethynediyl)bis- | 4,4'-(1,2-ethynediyl)bis-Benzenamine | D84228 | A904507 | 4,4'-(

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL864945 | 9M-704 | FT-0768581 | MFCD00458961 | DTXSID50363394 | YSZC057 | BDBM50476290 | Diaminotolan | J-513241 | Bis(4-aminophenyl)acetylene | Benzenamine,4,4'-(1,2-ethynediyl)bis- | 4,4'-(1,2-ethynediyl)bis-Benzenamine | D84228 | A904507 | 4,4'-(

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488191852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191852
• Kanonisches Lächeln: C1=CC(=CC=C1C#CC2=CC=C(C=C2)N)N
• IUPAC Name: 4-[2-(4-aminophenyl)ethynyl]aniline
• InChIKey: WAUKJWLKPXRNKT-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
• Isomere SMILES: C1=CC(=CC=C1C#CC2=CC=C(C=C2)N)N
• Molekulargewicht: 208.26
• Reaxy-Rn: 2806800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806800&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Flammpunkt (°C): 256℃
• Siedepunkt (°C): 429.7℃ at 760 mmHg
• Molekulargewicht: 208.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.1 Da
• Monoisotopic Mass: 208.1 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 244.000
• 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