Cyclohexanone oxime - ≥97% , CAS No.100-64-1

CAS: 100-64-1 Cat. No.: C109682 Fórmula: C₆H₁₁NO Peso molecular: 113.16 Beilstein Registry Number: 1616769 Número CE: 202-874-0

GRAU & PUREZA ≥97%

Synonyms

(HYDROXYIMINO)CYCLOHEXANE|Cyclohexanone oxime|hydroxyiminocyclohexane|Cyclohexanone, oxime|Cyclo-hexanone, oxime|Benzenepropanoic acid, 3-chloro-.alpha.-oxo-|cyclohexan-1-one oxime|cyclohexanoneoxime|(HYDROXYIMINO)CYCLOHEXANE [HSDB]|cyclohexanone oxime;cyclohexanone, oxime;n-hydroxycyclohexanimine;cyclohexanone oxime cyclohexanone, oxime n-hydroxycyclohexanimine|N-cyclohexylidenehydroxylamine|N-cyclohexylidene-hydroxylamine|Cyclohexanoneoxime(Chunks or pellets)

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

(HYDROXYIMINO)CYCLOHEXANE | Cyclohexanone oxime | hydroxyiminocyclohexane | Cyclohexanone, oxime | Cyclo-hexanone, oxime | Benzenepropanoic acid, 3-chloro-.alpha.-oxo- | cyclohexan-1-one oxime | cyclohexanoneoxime | (HYDROXYIMINO)CYCLOHEXANE [HSDB] | cyclohexanone oxime;cyclohexanone, oxime;n-hydroxycyclohexanimine;cyclohexanone oxime cyc Show more

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488180469

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180469

Sorrisos canónicos

C1CCC(=NO)CC1

IUPAC Name

N-cyclohexylidenehydroxylamine

InChIKey

VEZUQRBDRNJBJY-UHFFFAOYSA-N

INCHI

1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2

SMILES isoméricas

C1CCC(=NO)CC1

WGK Alemanha

1

RTECS

GW1925000

Número UN

2811

Grupo de embalagem

I

Peso molecular

113.16

Beilstein

1616769

Reaxy-Rn

1209600

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209600&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketoximes
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
• 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

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Lymphoblastoid cell (5959 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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Liver (3974 Activities)

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water; Soluble in Ether,Alcohol
• Ponto de inflamação (°F): 217°F
• Ponto de inflamação (°C): 103°C
• Ponto de ebulição (°C): 210 °C
• Ponto de fusão (°C): 90°C
• Peso molecular: 113.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.084 Da
• Monoisotopic Mass: 113.084 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.700
• 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