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

CAS: 5452-37-9 Cat. No.: C153969 Fórmula: C₈H₁₇N Peso molecular: 127.23 Beilstein Registry Number: 2689120 Número CE: 226-694-7

GRADE & PURITY ≥98%(GC)

Synonyms

Aminocyclooctane

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Aminocyclooctane

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488179728
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179728
• Sorrisos canónicos: 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
• SMILES isoméricas: C1CCCC(CCC1)N
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water. 10.2 g/L at 20°C.
• Sensibilidade: air sensitive
• Índice de refração: 1.48
• Ponto de inflamação (°F): 145.4 °F
• Ponto de inflamação (°C): 67°C(lit.)
• Ponto de ebulição (°C): 190 °C
• Ponto de fusão (°C): -48 °C
• Peso molecular: 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

Perguntas frequentes

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.