2,5-diazabicyclo[2.2.1]heptan-3-one - ≥97% , CAS No.1506560-22-0

CAS: 1506560-22-0 Cat. No.: D637669 Molecular Weight: 112.13 PubChem CID: 12831720

GRADE & PURITY ≥97%

Synonyms

2,5-DIAZABICYCLO[2.2.1]HEPTAN-3-ONE | 1506560-22-0 | AKOS005264042 | F86119

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 5-DIAZABICYCLO[2.2.1]HEPTAN-3-ONE | 1506560-22-0 | AKOS005264042 | F86119

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2CNC1C(=O)N2
• IUPAC Name: 2,5-diazabicyclo[2.2.1]heptan-3-one
• InChIKey: QNXBWPAFCHPJMM-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2O/c8-5-4-1-3(7-5)2-6-4/h3-4,6H,1-2H2,(H,7,8)
• Isomeric SMILES: C1C2CNC1C(=O)N2
• PubChem CID: 12831720
• Molecular Weight: 112.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: Pyrrolidine-2-ones Piperazines Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 1,4-diazinane - Piperazine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: 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