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

CAS: 17573-94-3 Cat. No.: E167950 Formula: C₁₀H₁₁N Molecular Weight: 145.2 EC Number: 628-003-8

GRADE & PURITY ≥97%

Synonyms

AMY11236 | p-ethynyl-N,N-dimethylaniline | 4-Ethynyl-N,N-dimethylaniline | DS-14229 | Q-103122 | 4-ethynyl-N,N-dimethylaniline;4-Dimethylaminophenyl acetylene | ZWMAYLMVFSCMMS-UHFFFAOYSA-N | MFCD00168816 | SCHEMBL186079 | BCP24230 | 4'-Dimethylaminophenyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

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.

Specifications

Synonyms

AMY11236 | p-ethynyl-N,N-dimethylaniline | 4-Ethynyl-N,N-dimethylaniline | DS-14229 | Q-103122 | 4-ethynyl-N,N-dimethylaniline;4-Dimethylaminophenyl acetylene | ZWMAYLMVFSCMMS-UHFFFAOYSA-N | MFCD00168816 | SCHEMBL186079 | BCP24230 | 4'-Dimethylaminophenyl

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488195142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195142
• Canonical Smiles: 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
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)C#C
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Flash Point(°F): <230 °F
• Flash Point(°C): <110 °C
• Melt Point(°C): 98-102 °C
• Molecular Weight: 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

References

1. Zhou Qin, Su Qing.  (2025)  Improvement of Epoxy Resin by Surface-Interlayer Reinforced Layered Double Hydroxides with Phosphorus-Containing Functional Guests: Smoke Suppression and Fire Safety.  Journal of Inorganic and Organometallic Polymers and Materials,      [PMID:] [10.1007/s10904-025-04030-w]