3-Phenylprop-2-ynamide - ≥95% , CAS No.7223-30-5

CAS: 7223-30-5 Cat. No.: P589991 Summenformel: C₉H₇NO Molekulargewicht: 145.16 PubChem CID: 522449

GRADE & PURITY ≥95%

Synonyms

STK331100 | 3-PHENYLPROPIOLAMIDE | DTXSID00334958 | 3-Phenylpropynoic acid amide | HJZZEVFDPBDIDQ-UHFFFAOYSA-N | Phenylpropiolamide | phenyl-propiolic acid amide | AKOS005438518 | SCHEMBL3696839 | AS-42160 | 3-phenylprop-2-ynamide | Phenylpropiolsaureamid

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

STK331100 | 3-PHENYLPROPIOLAMIDE | DTXSID00334958 | 3-Phenylpropynoic acid amide | HJZZEVFDPBDIDQ-UHFFFAOYSA-N | Phenylpropiolamide | phenyl-propiolic acid amide | AKOS005438518 | SCHEMBL3696839 | AS-42160 | 3-phenylprop-2-ynamide | Phenylpropiolsaureamid

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504759121
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759121
• Kanonisches Lächeln: C1=CC=C(C=C1)C#CC(=O)N
• IUPAC Name: 3-phenylprop-2-ynamide
• InChIKey: HJZZEVFDPBDIDQ-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,10,11)
• Isomere SMILES: C1=CC=C(C=C1)C#CC(=O)N
• PubChem CID: 522449
• Molekulargewicht: 145.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Molekulargewicht: 145.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 202.000
• 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