ω-Heptalactam - ≥97%(GC) , CAS No.673-66-5

CAS: 673-66-5 Cat. No.: O159930 Fórmula: C₇H₁₃NO Peso molecular: 127.19 Beilstein Registry Number: 108987 Número CE: 211-611-9

GRADE & PURITY ≥97%(GC)

Synonyms

cis-Octahydro-2-azocinone | NIOSH/CN5150000 | Suberonisoxim [German] | MFCD00003271 | BRN 0108987 | omega-Heptalactam | A25538 | EINECS 211-611-9 | H0525 | .omega.-Enantholactam | 2(1H)-AZOCINONE, HEXAHYDRO- | 2H-Azocin-2-one, hexahydro- | SCHEMBL454341 |

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinónimos

cis-Octahydro-2-azocinone | NIOSH/CN5150000 | Suberonisoxim [German] | MFCD00003271 | BRN 0108987 | omega-Heptalactam | A25538 | EINECS 211-611-9 | H0525 | .omega.-Enantholactam | 2(1H)-AZOCINONE, HEXAHYDRO- | 2H-Azocin-2-one, hexahydro- | SCHEMBL454341 |

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 508811331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811331
• Sorrisos canónicos: C1CCCNC(=O)CC1
• IUPAC Name: azocan-2-one
• InChIKey: CJYXCQLOZNIMFP-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
• SMILES isoméricas: C1CCCNC(=O)CC1
• WGK Alemanha: 3
• RTECS: CN4810000
• Peso molecular: 127.19
• Beilstein: 108987
• Reaxy-Rn: 108987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lactams
• Alternative Parents: Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as lactams. These are compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring).
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 148-150 °C/10 mmHg
• Ponto de fusão (°C): 34-38°C
• Peso molecular: 127.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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