1,3-Oxazinano - ≥96% , CAS No.14558-49-7

CAS: 14558-49-7 Cat. No.: O190971 Fórmula: C₄H₉NO Peso molecular: 87.12 Número CE: 819-959-9

GRADE & PURITY ≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Sorrisos canónicos: C1CNCOC1
• IUPAC Name: 1,3-oxazinane
• InChIKey: LQPOOAJESJYDLS-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H2
• SMILES isoméricas: C1CNCOC1
• Peso molecular: 87.12
• Reaxy-Rn: 102525
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass 1,3-oxazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: 1,3-oxazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-oxazinanes
• Alternative Parents: Hemiaminals Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-oxazinane - Hemiaminal - Oxacycle - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-oxazinanes. These are compounds contain an oxazinane ring with the nitrogen atom and the oxygen atom at positions 1 and 3, respectively.
• 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

Propriedades químicas e físicas

• Peso molecular: 87.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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