3,3-difluorocyclohexan-1-amine - ≥97% , CAS No.921753-34-6

CAS: 921753-34-6 Cat. No.: D178241 Formule: C₆H₁₁F₂N Poids moléculaire: 135.158

GRADE & PURITY ≥97%

Synonyms

3,3-DIFLUOROCYCLOHEXANAMINE|921753-34-6|3,3-difluorocyclohexan-1-amine|3,3-difluoro-cyclohexylamine|MFCD12755815|3,3-Difluoro-cyclohexanamine|SCHEMBL764676|DTXSID60694782|VAQNIUDWPOLHBT-UHFFFAOYSA-N|AKOS015920422|AB85983|AB86298|AM804552|BS-13141|FT-07339

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

3,3-DIFLUOROCYCLOHEXANAMINE | 921753-34-6 | 3,3-difluorocyclohexan-1-amine | 3,3-difluoro-cyclohexylamine | MFCD12755815 | 3,3-Difluoro-cyclohexanamine | SCHEMBL764676 | DTXSID60694782 | VAQNIUDWPOLHBT-UHFFFAOYSA-N | AKOS015920422 | AB85983 | AB86298 | AM804552 | BS-13141 | FT-07339

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1CC(CC(C1)(F)F)N
• IUPAC Name: 3,3-difluorocyclohexan-1-amine
• InChIKey: VAQNIUDWPOLHBT-UHFFFAOYSA-N
• INCHI: 1S/C6H11F2N/c7-6(8)3-1-2-5(9)4-6/h5H,1-4,9H2
• Isomères SMILES: C1CC(CC(C1)(F)F)N
• Poids moléculaire: 135.158
• Reaxy-Rn: 22966791
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22966791&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Cyclohexylamines Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Cyclohexylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl fluoride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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

• Poids moléculaire: 135.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.086 Da
• Monoisotopic Mass: 135.086 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1