1-Azidoheptane , CAS No.44961-22-0

CAS: 44961-22-0 Cat. No.: A929714 PubChem CID: 11040794

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCN=[N+]=[N-]

IUPAC Name

1-azidoheptane

InChIKey

FYKLDSLIWBUFOT-UHFFFAOYSA-N

INCHI

1S/C7H15N3/c1-2-3-4-5-6-7-9-10-8/h2-7H2,1H3

Isomere SMILES

CCCCCCCN=[N+]=[N-]

PubChem CID

11040794

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 141.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 141.127 Da
• Monoisotopic Mass: 141.127 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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

The CAS Number is 44961-22-0. InChIKey FYKLDSLIWBUFOT-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.