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

CAS: 6052-15-9 Cat. No.: E304115 Fórmula: C₁₄H₁₂N₂ Peso molecular: 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

Sinónimos

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'-(

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488191852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191852

Sorrisos canónicos

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

SMILES isoméricas

C1=CC(=CC=C1C#CC2=CC=C(C=C2)N)N

Peso molecular

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

APP Tclin Amyloid-beta A4 protein (1 Activities)

Discover Target: APP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Ponto de inflamação (°C): 256℃
• Ponto de ebulição (°C): 429.7℃ at 760 mmHg
• Peso molecular: 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