3-(2-Hydroxyphenyl)propanamide - ≥95% , CAS No.22367-76-6

CAS: 22367-76-6 Cat. No.: H588227 Formula: C₉H₁₁NO₂ Molecular Weight: 165.19

GRADE & PURITY ≥95%

Synonyms

FT-0706736 | BS-16670 | Z371352778 | D84146 | LDJLLJYEHWTXLF-UHFFFAOYSA-N | SY316298 | MFCD03788457 | EN300-1718985 | AKOS009139194 | SCHEMBL860002 | 3-(2-Hydroxyphenyl)propionamide | DTXSID70176903 | 3-(2-hydroxyphenyl)propanamide | 2-HYDROXYBENZENEPROPA

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

FT-0706736 | BS-16670 | Z371352778 | D84146 | LDJLLJYEHWTXLF-UHFFFAOYSA-N | SY316298 | MFCD03788457 | EN300-1718985 | AKOS009139194 | SCHEMBL860002 | 3-(2-Hydroxyphenyl)propionamide | DTXSID70176903 | 3-(2-hydroxyphenyl)propanamide | 2-HYDROXYBENZENEPROPA

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)CCC(=O)N)O
• IUPAC Name: 3-(2-hydroxyphenyl)propanamide
• InChIKey: LDJLLJYEHWTXLF-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c10-9(12)6-5-7-3-1-2-4-8(7)11/h1-4,11H,5-6H2,(H2,10,12)
• Isomeric SMILES: C1=CC=C(C(=C1)CCC(=O)N)O
• Molecular Weight: 165.19
• Reaxy-Rn: 2614001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Fatty amides Benzene and substituted derivatives Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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
• Molecular Weight: 165.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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