KF 4317 , CAS No.76805-48-6

CAS: 76805-48-6 Cat. No.: K976608 Fórmula: C₂₁H₂₈N₂O₃ Peso molecular: 356.500

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: CC(CCC1=CC=CC=C1)NCC(COC2=CC=C(C=C2)CC(=O)N)O
• IUPAC Name: 2-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]acetamide
• InChIKey: QUGGJYHUFSNFIO-UHFFFAOYSA-N
• INCHI: 1S/C21H28N2O3/c1-16(7-8-17-5-3-2-4-6-17)23-14-19(24)15-26-20-11-9-18(10-12-20)13-21(22)25/h2-6,9-12,16,19,23-24H,7-8,13-15H2,1H3,(H2,22,25)
• Peso molecular: 356.500

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Phenoxy compound - Phenol ether - Aralkylamine - Alkyl aryl ether - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 356.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 356.21 Da
• Monoisotopic Mass: 356.21 Da
• Topological Polar Surface Area: 84.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 391.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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

The CAS Number is 76805-48-6, the molecular formula is C21H28N2O3, and the molecular weight is 356.500 g/mol. InChIKey QUGGJYHUFSNFIO-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.