Cyclooctylamine - ≥98%(GC) , CAS No.5452-37-9

CAS: 5452-37-9 Cat. No.: C153969 Summenformel: C₈H₁₇N Molekulargewicht: 127.23 Beilstein Registry Number: 2689120 EG-Nummer: 226-694-7

GRADE & PURITY ≥98%(GC)

Synonyms

Aminocyclooctane

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Aminocyclooctane

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488179728
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179728
• Kanonisches Lächeln: C1CCCC(CCC1)N
• IUPAC Name: cyclooctanamine
• InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N
• INCHI: 1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
• Isomere SMILES: C1CCCC(CCC1)N
• WGK Deutschland: 3
• Molekulargewicht: 127.23
• Beilstein: 2689120
• Reaxy-Rn: 2689120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Primary amines
          • Ebene6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water. 10.2 g/L at 20°C.
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.48
• Flammpunkt (°F): 145.4 °F
• Flammpunkt (°C): 67°C(lit.)
• Siedepunkt (°C): 190 °C
• Schmelzpunkt (°C): -48 °C
• Molekulargewicht: 127.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.136 Da
• Monoisotopic Mass: 127.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5452-37-9, the molecular formula is C8H17N, and the molecular weight is 127.23 g/mol. InChIKey HSOHBWMXECKEKV-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.