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

CAS: 675112-40-0 Cat. No.: A194532 Formule: C₆H₁₂ClNO Poids moléculaire: 149.62 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488200905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200905
• Sourires canoniques: 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
• Isomères SMILES: C1CC(=O)CCC1N.Cl
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Point de fusion (°C): 205 °C(dec.)
• Poids moléculaire: 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

Références

1. Pan Weichun, Wu Jihuai, Pan Jiexi, Wei Shanyue, Tan Lina, Li Wenjing, Wang Deng, Liu Xuping, Xie Yiming, Lin Jianming, Lan Zhang.  (2026)  Defect-Anchored Dipole Molecules Induce Surface Polarization Facilitating High-Performance Inverted Perovskite Solar Cells.  Nano-Micro Letters,  18  (1): (289).  [PMID:41845168] [10.1007/s40820-026-02150-7]