6-hydroxyazepan-2-one - ≥97% , CAS No.1292369-55-1

CAS: 1292369-55-1 Cat. No.: H628138 Formule: C₆H₁₁NO₂ Poids moléculaire: 129.16 PubChem CID: 67764878

GRADE & PURITY ≥97%

Synonyms

6-Hydroxyazepan-2-one | 1292369-55-1 | 2H-Azepin-2-one, hexahydro-6-hydroxy- | SCHEMBL9068589 | MFCD15529627 | AKOS022185711 | AS-63067 | N10631 | EN300-6991726 | Z1255401193

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-Hydroxyazepan-2-one | 1292369-55-1 | 2H-Azepin-2-one, hexahydro-6-hydroxy- | SCHEMBL9068589 | MFCD15529627 | AKOS022185711 | AS-63067 | N10631 | EN300-6991726 | Z1255401193

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1CC(CNC(=O)C1)O
• IUPAC Name: 6-hydroxyazepan-2-one
• InChIKey: HEQOFYJVQMAVHS-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO2/c8-5-2-1-3-6(9)7-4-5/h5,8H,1-4H2,(H,7,9)
• Isomères SMILES: C1CC(CNC(=O)C1)O
• PubChem CID: 67764878
• Poids moléculaire: 129.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactams
      • Subclass Caprolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Caprolactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Caprolactams
• Alternative Parents: Azepanes Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactam - Azepane - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 129.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1292369-55-1, the molecular formula is C6H11NO2, and the molecular weight is 129.16 g/mol. InChIKey HEQOFYJVQMAVHS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.