Gnf-PF-3071 - ≥90% , CAS No.298215-35-7

CAS: 298215-35-7 Cat. No.: G1002433 Formula: C₂₅H₃₂N₄O₂ Peso molecolare: 420.500

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥90%

Nomi e identificatori

• Sorrisi canonici: C1CCN(C1)CC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)CN4CCCC4
• IUPAC Name: 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
• InChIKey: YNNKKMKHXXUFLP-UHFFFAOYSA-N
• INCHI: 1S/C25H32N4O2/c30-24(18-28-13-1-2-14-28)26-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)27-25(31)19-29-15-3-4-16-29/h5-12H,1-4,13-19H2,(H,26,30)(H,27,31)
• Peso molecolare: 420.500

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Alpha amino acid amides Anilides N-arylamides N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Alpha-amino acid amide - Alpha-amino acid or derivatives - Anilide - N-arylamide - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 420.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 420.253 Da
• Monoisotopic Mass: 420.253 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 520.000
• 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