4-Aminocyclohexanone hydrochloride - ≥95% , CAS No.675112-40-0

CAS: 675112-40-0 Cat. No.: A194532 分子式: C₆H₁₂ClNO 分子量: 149.62 EC番号: 817-630-4

GRADE & PURITY ≥95%

Synonyms

4-Amino-cyclohexanone; hydrochloride | 4-AMINOCYCLOHEXAN-1-ONE HYDROCHLORIDE | 4-AMINOCYCLOHEXAN-1-ONE, HCL | 4-AminocyclohexanoneHydrochloride | AB26267 | AM101128 | 4-aminocyclohexanone hydrochloride, AldrichCPR | AKOS015900706 | J-514425 | SY017243 | 4

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

4-Amino-cyclohexanone; hydrochloride | 4-AMINOCYCLOHEXAN-1-ONE HYDROCHLORIDE | 4-AMINOCYCLOHEXAN-1-ONE, HCL | 4-AminocyclohexanoneHydrochloride | AB26267 | AM101128 | 4-aminocyclohexanone hydrochloride, AldrichCPR | AKOS015900706 | J-514425 | SY017243 | 4

仕様と純度

≥95%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488200905

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488200905

カノニカル・スマイル

C1CC(=O)CCC1N.Cl

IUPAC Name

4-aminocyclohexan-1-one;hydrochloride

InChIKey

NCURSEGKHJAUOX-UHFFFAOYSA-N

INCHI

1S/C6H11NO.ClH/c7-5-1-3-6(8)4-2-5;/h5H,1-4,7H2;1H

異性体SMILES

C1CC(=O)CCC1N.Cl

分子量

149.62

Reaxy-Rn

9716836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9716836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

化学的性質と物理的性質

• 感度: Hygroscopic
• 融点（°C）: 205 °C(dec.)
• 分子量: 149.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.061 Da
• Monoisotopic Mass: 149.061 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• 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: 2

XLogP3