8-Azido-1-octanol , CAS No.57395-46-7

CAS: 57395-46-7 Cat. No.: A1237362 Formule: C₈H₁₇N₃O Poids moléculaire: 171.24

Storage

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Specifications

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Expédié en

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Noms et identifiants

• Sourires canoniques: C(CCCCO)CCCN=[N+]=[N-]
• IUPAC Name: 8-azidooctan-1-ol
• InChIKey: BUXZAPDMVRBVOR-UHFFFAOYSA-N
• INCHI: 1S/C8H17N3O/c9-11-10-7-5-3-1-2-4-6-8-12/h12H,1-8H2
• Poids moléculaire: 171.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Alkanolamines Primary alcohols Organic zwitterions Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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: 171.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 171.137 Da
• Monoisotopic Mass: 171.137 Da
• Topological Polar Surface Area: 34.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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