3-methylbicyclo[1.1.1]pentane-1-carboxamide - ≥97% , CAS No.796963-30-9

CAS: 796963-30-9 Cat. No.: M634564 Molecular Weight: 125.17 PubChem CID: 86010391

GRADE & PURITY ≥97%

Synonyms

3-Methylbicyclo[1.1.1]pentane-1-carboxamide | 796963-30-9 | SCHEMBL17586274 | MFCD31705897 | D97129

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Methylbicyclo[1.1.1]pentane-1-carboxamide | 796963-30-9 | SCHEMBL17586274 | MFCD31705897 | D97129

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC12CC(C1)(C2)C(=O)N
• IUPAC Name: 3-methylbicyclo[1.1.1]pentane-1-carboxamide
• InChIKey: NAAGETHEXFAVCB-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO/c1-6-2-7(3-6,4-6)5(8)9/h2-4H2,1H3,(H2,8,9)
• Isomeric SMILES: CC12CC(C1)(C2)C(=O)N
• PubChem CID: 86010391
• Molecular Weight: 125.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Fatty amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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