6-(Diethylamino)-2-phenylhexanamide - ≥98% , CAS No.924836-33-9

CAS: 924836-33-9 Cat. No.: D976166 Formule: C₁₆H₂₆N₂O Poids moléculaire: 262.390

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCN(CC)CCCCC(C1=CC=CC=C1)C(=O)N
• IUPAC Name: 6-(diethylamino)-2-phenylhexanamide
• InChIKey: YCRITHOZOPVWKM-UHFFFAOYSA-N
• INCHI: 1S/C16H26N2O/c1-3-18(4-2)13-9-8-12-15(16(17)19)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H2,17,19)
• Poids moléculaire: 262.390

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: Aralkylamines Fatty amides Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Aralkylamine - Fatty amide - Fatty acyl - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 262.390 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 262.205 Da
• Monoisotopic Mass: 262.205 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1