cis-4-(Trifluoromethyl)cyclohexylamine - ≥98%(GC) , CAS No.1073266-01-9

CAS: 1073266-01-9 Cat. No.: C405079 Peso molecular: 167.18 Número EC: 833-847-7

GRADE & PURITY ≥98%(GC)

Synonyms

trans-4-trifluoromethyl cyclohexylamine | YSB26601 | MFCD19686543 | T71576 | STL556064 | N-t-butoxycarbonyl-3-(2-pyridyl)-D-alanine | PB32700 | SB30480 | 4-Trifluoromethylcyclohexylamine | 4-Trifluoromethyl-cyclohexylamine | BS-44204 | EN300-3404696 | AKO

Storage

Argon charged,Room temperature

Specifications

Sinónimos

trans-4-trifluoromethyl cyclohexylamine | YSB26601 | MFCD19686543 | T71576 | STL556064 | N-t-butoxycarbonyl-3-(2-pyridyl)-D-alanine | PB32700 | SB30480 | 4-Trifluoromethylcyclohexylamine | 4-Trifluoromethyl-cyclohexylamine | BS-44204 | EN300-3404696 | AKO

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504767482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767482
• Sonrisas canónicas: C1CC(CCC1C(F)(F)F)N
• IUPAC Name: 4-(trifluoromethyl)cyclohexan-1-amine
• InChIKey: YCBWLMWEQURJHX-UHFFFAOYSA-N
• INCHI: 1S/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2
• Isómeros SMILES: C1CC(CCC1C(F)(F)F)N
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 167.18
• Reaxy-Rn: 2074610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2074610&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Hydrocarbon derivative - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°C): 52 °C
• Peso molecular: 167.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.092 Da
• Monoisotopic Mass: 167.092 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 124.000
• 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