1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone hydrochloride - ≥97% , CAS No.1190927-48-0

CAS: 1190927-48-0 Cat. No.: H627226 EC Number: 860-880-4 PubChem CID: 57464050

GRADE & PURITY ≥97%

Synonyms

1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethan-1-one hydrochloride | P19243 | UMRRKGGLUTWXFI-LEUCUCNGSA-N | Z3719032693 | 1-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]ethanone hydrochloride | 1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-[(1S, 4S)-2, 5-diazabicyclo[2.2.1]heptan-2-yl]ethan-1-one hydrochloride | P19243 | UMRRKGGLUTWXFI-LEUCUCNGSA-N | Z3719032693 | 1-[(1S, 4S)-2, 5-diazabicyclo[2.2.1]hept-2-yl]ethanone hydrochloride | 1-[(1S, 4S)-2, 5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;hydr

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)N1CC2CC1CN2.Cl
• IUPAC Name: 1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;hydrochloride
• InChIKey: UMRRKGGLUTWXFI-LEUCUCNGSA-N
• INCHI: 1S/C7H12N2O.ClH/c1-5(10)9-4-6-2-7(9)3-8-6;/h6-8H,2-4H2,1H3;1H/t6-,7-;/m0./s1
• Isomeric SMILES: CC(=O)N1C[C@@H]2C[C@H]1CN2.Cl
• Alternate CAS: 1190927-48-0
• PubChem CID: 57464050

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-acylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-acylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpyrrolidines
• Alternative Parents: Piperazines Tertiary carboxylic acid amides Acetamides Tertiary amines Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-acylpyrrolidine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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