4-(Etilamino)-4-piperidinocarboxamida - ≥95% , CAS No.84100-54-9

CAS: 84100-54-9 Cat. No.: P695246 Peso molecular: 171.24 Número EC: 282-134-1 PubChem CID: 96573

GRADE & PURITY ≥95%

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCNC1(CCNCC1)C(=O)N
• IUPAC Name: 4-(ethylamino)piperidine-4-carboxamide
• InChIKey: AVEQCXBQACLXDJ-UHFFFAOYSA-N
• INCHI: 1S/C8H17N3O/c1-2-11-8(7(9)12)3-5-10-6-4-8/h10-11H,2-6H2,1H3,(H2,9,12)
• Isómeros SMILES: CCNC1(CCNCC1)C(=O)N
• CAS alternativo: 84100-54-9
• PubChem CID: 96573
• Número NSC: 80661
• Peso molecular: 171.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Piperidinecarboxamides Aminopiperidines Primary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Piperidinecarboxamide - 4-aminopiperidine - Piperidine - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino 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

Propiedades químicas y físicas

• Peso molecular: 171.240 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.137 Da
• Monoisotopic Mass: 171.137 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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