trans-2-fluorocyclohexanamine;hydrochloride - ≥97% , CAS No.75198-16-2

CAS: 75198-16-2 Cat. No.: T634481 EG-Nummer: 879-461-2 PubChem CID: 91647639

GRADE & PURITY ≥97%

Synonyms

(1R,2R)-2-Fluorocyclohexanamine hydrochloride | 1202158-30-2 | MFCD20503068 | EN300-249821 | trans-2-Fluorocyclohexanamine hydrochloride | (1R,2R)-2-FLUOROCYCLOHEXAN-1-AMINE HYDROCHLORIDE | trans-2-Fluorocyclohexan-1-amine HCl | trans-2-Fluorocyclohexanam

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

(1R,2R)-2-Fluorocyclohexanamine hydrochloride | 1202158-30-2 | MFCD20503068 | EN300-249821 | trans-2-Fluorocyclohexanamine hydrochloride | (1R,2R)-2-FLUOROCYCLOHEXAN-1-AMINE HYDROCHLORIDE | trans-2-Fluorocyclohexan-1-amine HCl | trans-2-Fluorocyclohexanam

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1CCC(C(C1)N)F.Cl
• IUPAC Name: (1R,2R)-2-fluorocyclohexan-1-amine;hydrochloride
• InChIKey: IOXBYKGOFZSEIL-KGZKBUQUSA-N
• INCHI: 1S/C6H12FN.ClH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H/t5-,6-;/m1./s1
• Isomere SMILES: C1CC[C@H]([C@@H](C1)N)F.Cl
• Alternative CAS-Nummer: 75198-16-2
• PubChem CID: 91647639

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Cyclohexylamines Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Cyclohexylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl fluoride - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 153.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.072 Da
• Monoisotopic Mass: 153.072 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Referenzen

1. Shuyi Lu, Qian Wu, Shanshan Wang, Dongru Sun, Yan Liu, Shaohua Huang, Biling Huang.  (2025)  19F NMR-Guided Chiral Analysis and Machine Learning for Absolute Configuration Prediction of Carboxylic Acids.  ANALYTICAL CHEMISTRY,      [PMID:41056290] [10.1021/acs.analchem.5c05583]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 75198-16-2. InChIKey IOXBYKGOFZSEIL-KGZKBUQUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.