Pyracarbolid - ≥99% , CAS No.24691-76-7

CAS: 24691-76-7 Cat. No.: P356964 Summenformel: C₁₃H₁₅NO₂ Molekulargewicht: 217.26 EG-Nummer: 246-419-4 PubChem CID: 32597

GRADE & PURITY ≥99%

Synonyms

2-Methyl-5,6-dihydro-4,4-pyran-3-carbonsaeureanilid | HOE 6052 | SCHEMBL21874 | 5-6-Dihydro-2-methyl-3-(phenylcarbamoyl)-4H-pyrane | C18914 | Pyracarbolide | Q27155713 | 6-Methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide | H294Q38GAN | UNII-H294Q38GAN |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Methyl-5,6-dihydro-4,4-pyran-3-carbonsaeureanilid | HOE 6052 | SCHEMBL21874 | 5-6-Dihydro-2-methyl-3-(phenylcarbamoyl)-4H-pyrane | C18914 | Pyracarbolide | Q27155713 | 6-Methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide | H294Q38GAN | UNII-H294Q38GAN |

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
• IUPAC Name: 6-methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide
• InChIKey: YPCALTGLHFLNGA-UHFFFAOYSA-N
• INCHI: 1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
• Isomere SMILES: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
• PubChem CID: 32597
• Molekulargewicht: 217.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Vinylogous esters Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - N-arylamide - Vinylogous ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Amide fungicides

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

• Schmelzpunkt (°C): 106-107° C
• Molekulargewicht: 217.260 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.11 Da
• Monoisotopic Mass: 217.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 290.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24691-76-7, the molecular formula is C13H15NO2, and the molecular weight is 217.26 g/mol. InChIKey YPCALTGLHFLNGA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.