1-Cyanoadamantane - ≥98%(GC) , CAS No.23074-42-2

CAS: 23074-42-2 Cat. No.: C153453 Fórmula: C₁₁H₁₅N Peso molecular: 161.25 Número CE: 245-413-9

GRADE & PURITY ≥98%(GC)

Synonyms

1-Cyanoadamantane | F1928-0022 | W-107436 | 3-fluorophenylsulfonyl chloride | EINECS 245-413-9 | 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate | A816556 | EN300-05983 | 1-Adamantane carboxylic acid nitrile | NSC137842 | NSC-137842 | EN300-24021

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Cyanoadamantane | F1928-0022 | W-107436 | 3-fluorophenylsulfonyl chloride | EINECS 245-413-9 | 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate | A816556 | EN300-05983 | 1-Adamantane carboxylic acid nitrile | NSC137842 | NSC-137842 | EN300-24021

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504756048

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756048

Sorrisos canónicos

C1C2CC3CC1CC(C2)(C3)C#N

IUPAC Name

adamantane-1-carbonitrile

InChIKey

FQFZASRJFRAEIH-UHFFFAOYSA-N

INCHI

1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

SMILES isoméricas

C1C2CC3CC1CC(C2)(C3)C#N

WGK Alemanha

3

Número UN

3439

Grupo de embalagem

III

Peso molecular

161.25

Reaxy-Rn

2044900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol, benzene, ethanol
• Ponto de fusão (°C): 195 °C
• Peso molecular: 161.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.12 Da
• Monoisotopic Mass: 161.12 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 216.000
• 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.

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 23074-42-2, the molecular formula is C11H15N, and the molecular weight is 161.25 g/mol. InChIKey FQFZASRJFRAEIH-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.