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

CAS: 22367-76-6 Cat. No.: H588227 Summenformel: C₉H₁₁NO₂ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC=C(C(=C1)CCC(=O)N)O
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Molekulargewicht: 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