4-Ethynyl-N,N-dimethylaniline - ≥97% , CAS No.17573-94-3

CAS: 17573-94-3 Cat. No.: E167950 Formule: C₁₀H₁₁N Poids moléculaire: 145.2 Numéro CE: 628-003-8

QUALITÉ & PURETÉ ≥97%

Synonyms

p-ethynyl-N,N-dimethylaniline|4-Ethynyl-N,N-dimethylaniline|4-ethynyl-N,N-dimethylaniline;4-Dimethylaminophenyl acetylene|4'-Dimethylaminophenyl acetylene|4-Dimethylaminophenyl acetylene|(4-ethynyl phenyl)-dimethyl amine|1-Ethynyl-4-dimethylaniline|4-ethynyl-N,N-dimethylbenzenamine|Benzenamine, 4-ethynyl-N,N-dimethyl-|(4-Ethynyl-phenyl)-dimethyl-amine|4/'-DIMETHYLAMINOPHENYL ACETYLENE

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

Product Introduction

4-Ethynylaniline, also known as p-ethynylaniline, is a terminal alkyne. Its synthesis using 2-methyl-3-butyn-2-ol (MEBYNOL) has been reported. The transition metal catalyzed polymerization of 4-ethynylaniline to afford poly(4-ethynylaniline) has been reported. The impact of the surface functionalization with 4-ethynylaniline on the thermal behavior of multi-walled carbon nanotubes (MWNTs) and graphene has been investigated.

Spécifications

Synonymes

p-ethynyl-N,N-dimethylaniline | 4-Ethynyl-N,N-dimethylaniline | 4-ethynyl-N,N-dimethylaniline;4-Dimethylaminophenyl acetylene | 4'-Dimethylaminophenyl acetylene | 4-Dimethylaminophenyl acetylene | (4-ethynyl phenyl)-dimethyl amine | 1-Ethynyl-4-dimethylaniline | 4-ethynyl-N,N-dimethylbenzenamine | Benzenamine, 4-ethynyl-N,N-dimethyl- | (4 Afficher plus

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488195142

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195142

Sourires canoniques

CN(C)C1=CC=C(C=C1)C#C

IUPAC Name

4-ethynyl-N,N-dimethylaniline

InChIKey

ZWMAYLMVFSCMMS-UHFFFAOYSA-N

INCHI

1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

Isomères SMILES

CN(C)C1=CC=C(C=C1)C#C

WGK Allemagne

3

Poids moléculaire

145.2

Reaxy-Rn

636666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Acetylide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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
• Point d'éclair (°F): <230 °F
• Point d'éclair (°C): <110 °C
• Point de fusion (°C): 98-102 °C
• Poids moléculaire: 145.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 145.089 Da
• Monoisotopic Mass: 145.089 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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