1-Azidoadamantane - ≥97% , CAS No.24886-73-5

CAS: 24886-73-5 Cat. No.: A346899 Formula: C₁₀H₁₅N₃ Molecular Weight: 177.25 EC Number: 627-886-7

GRADE & PURITY ≥97%

Synonyms

J-015717 | 1-Azidoadamantane, 97% | Tricyclo[3.3.1.13,7]decane, 1-azido- | AKOS015913608 | JOMZSYXWYOVFEE-UHFFFAOYSA-N | DTXSID60326773 | 1-Azidoadamantane | MFCD00074793 | 1-(1-Adamantyl)-2.lambda.~5~-1,2-triazadiene | SCHEMBL13464102 | AKOS017345180 | S

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

1-Azidoadamantane is a potentially useful synthetic intermediate that has been used as a building block for "Anti-Bredt" strained molecules. This compound has been shown to undergo oxygenation by certain microbial strains such as B. bassiana.

Specifications

Synonyms

J-015717 | 1-Azidoadamantane, 97% | Tricyclo[3.3.1.13,7]decane, 1-azido- | AKOS015913608 | JOMZSYXWYOVFEE-UHFFFAOYSA-N | DTXSID60326773 | 1-Azidoadamantane | MFCD00074793 | 1-(1-Adamantyl)-2.lambda.~5~-1,2-triazadiene | SCHEMBL13464102 | AKOS017345180 | S

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 528754382
• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)N=[N+]=[N-]
• IUPAC Name: 1-azidoadamantane
• InChIKey: JOMZSYXWYOVFEE-UHFFFAOYSA-N
• INCHI: 1S/C10H15N3/c11-13-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)N=[N+]=[N-]
• WGK Germany: 3
• UN Number: 1325
• Packing Group: II
• Molecular Weight: 177.25
• Reaxy-Rn: 1874592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874592&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: 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 homopolycyclic compounds
• Substituents: Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aliphatic homopolycyclic 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Light sensitive
• Flash Point(°F): 185 °F
• Flash Point(°C): 85 °C
• Melt Point(°C): 80-82° C (lit.)
• Molecular Weight: 177.250 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.127 Da
• Monoisotopic Mass: 177.127 Da
• Topological Polar Surface Area: 14.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 237.000
• 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