2-(4-Hydroxyphenyl)-N-methylacetamide - ≥98% , CAS No.29121-34-4

CAS: 29121-34-4 Cat. No.: N491195 Molecular Weight: 165.19 EC Number: 631-099-4

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1972574 | SY317044 | Benzeneacetamide, 4-hydroxy-N-methyl- | W17425 | AMY10532 | AKOS016000693 | FT-0732424 | N-Methyl 4-hydroxyphenylacetamide | MFCD18827578 | AS-10184 | N-Methyl-p-hydroxyphenylacetamide | DVYKQANXDBJSGF-UHFFFAOYSA-N | 2-(4-Hydro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1972574 | SY317044 | Benzeneacetamide, 4-hydroxy-N-methyl- | W17425 | AMY10532 | AKOS016000693 | FT-0732424 | N-Methyl 4-hydroxyphenylacetamide | MFCD18827578 | AS-10184 | N-Methyl-p-hydroxyphenylacetamide | DVYKQANXDBJSGF-UHFFFAOYSA-N | 2-(4-Hydro

Specifications & Purity

≥98%

Storage

Store at 2-8°C

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: 504767275
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767275
• Canonical Smiles: CNC(=O)CC1=CC=C(C=C1)O
• IUPAC Name: 2-(4-hydroxyphenyl)-N-methylacetamide
• InChIKey: DVYKQANXDBJSGF-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-10-9(12)6-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
• Isomeric SMILES: CNC(=O)CC1=CC=C(C=C1)O
• Molecular Weight: 165.19
• Reaxy-Rn: 2964116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2964116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

• Melt Point(°C): 124-125℃
• Molecular Weight: 165.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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