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

CAS: 100-64-1 Cat. No.: C109682 分子式: C₆H₁₁NO 分子量: 113.16 Beilstein Registry Number: 1616769 EC番号: 202-874-0

グレード＆純度 ≥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

仕様

同義語

(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 もっと見る

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488180469

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

C1CCC(=NO)CC1

WGKドイツ

1

RTECS

GW1925000

UN番号

2811

包装グループ

I

分子量

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
    • 分類 Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Ether,Alcohol
• 引火点（°F）: 217°F
• 引火点（°C）: 103°C
• 沸点（°C）: 210 °C
• 融点（°C）: 90°C
• 分子量: 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