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

CAS: 1073266-01-9 Cat. No.: C405079 Molecular Weight: 167.18 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504767482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767482
• Canonical Smiles: 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
• Isomeric SMILES: C1CC(CCC1C(F)(F)F)N
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.41
• Flash Point(°C): 52 °C
• Molecular Weight: 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