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

CAS: 673-66-5 Cat. No.: O159930 Formule: C₇H₁₃NO Poids moléculaire: 127.19 Beilstein Registry Number: 108987 Numéro CE: 211-611-9

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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 |

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Pureté

≥97%(GC)

Product Line

O159930-5g

Noms et identifiants

Pubchem Sid

508811331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811331

Sourires canoniques

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)

Isomères SMILES

C1CCCNC(=O)CC1

WGK Allemagne

3

RTECS

CN4810000

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 148-150 °C/10 mmHg
• Point de fusion (°C): 34-38°C
• Poids moléculaire: 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