4-(2-Propynyloxy)aniline - ≥98% , CAS No.26557-78-8

CAS: 26557-78-8 Cat. No.: P160192 Molecular Weight: 147.18 EC Number: 801-516-6 PubChem CID: 12668862

GRADE & PURITY ≥98%

Synonyms

FT-0690088 | P2224 | p-aminophenyl propargyl ether | 4-(prop-2-yn-1-yloxy)aniline | DTXSID20506271 | SCHEMBL126400 | T72197 | Z730512948 | EN300-72016 | 4-Prop-2-ynyloxy-phenylamine | 4-Aminophenyl Propargyl Ether | STL198226 | 4-prop-2-ynoxyaniline | 4-(

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Product Application:

This monomer has amino functionality as well as acetylene functionality for copper mediated ligation or functionalization. This can be used to copolymerize with maleic anhydrides and maleimides.

Specifications

Synonyms

FT-0690088 | P2224 | p-aminophenyl propargyl ether | 4-(prop-2-yn-1-yloxy)aniline | DTXSID20506271 | SCHEMBL126400 | T72197 | Z730512948 | EN300-72016 | 4-Prop-2-ynyloxy-phenylamine | 4-Aminophenyl Propargyl Ether | STL198226 | 4-prop-2-ynoxyaniline | 4-(

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767199
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767199
• Canonical Smiles: C#CCOC1=CC=C(C=C1)N
• IUPAC Name: 4-prop-2-ynoxyaniline
• InChIKey: FPLSLCJCSKFAMA-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7,10H2
• Isomeric SMILES: C#CCOC1=CC=C(C=C1)N
• PubChem CID: 12668862
• Molecular Weight: 147.18
• Reaxy-Rn: 2829715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Acetylide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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: light & heat & air sensitive
• Boil Point(°C): 95°C/10mmHg(lit.)
• Melt Point(°C): 54 °C
• Molecular Weight: 147.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 150.000
• 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