Cas no 50846-38-3 (1-Aminocyclohexanecarbonitrile hydrochloride)

1-Aminocyclohexanecarbonitrile hydrochloride is a cyclohexane-based organic compound featuring both amine and nitrile functional groups, rendered as a hydrochloride salt for enhanced stability and solubility. This intermediate is particularly valuable in synthetic organic chemistry, where it serves as a versatile building block for pharmaceuticals, agrochemicals, and specialty materials. Its rigid cyclohexane backbone contributes to stereochemical control in reactions, while the reactive amine and nitrile groups enable further functionalization, such as cyclizations or derivatizations. The hydrochloride form ensures improved handling and storage characteristics. Suitable for use in peptide mimetics and heterocyclic synthesis, it offers researchers a reliable and efficient route to complex molecular architectures.
1-Aminocyclohexanecarbonitrile hydrochloride structure
50846-38-3 structure
Product Name:1-Aminocyclohexanecarbonitrile hydrochloride
CAS No:50846-38-3
MF:C7H13ClN2
MW:160.644520521164
MDL:MFCD01734623
CID:373920
PubChem ID:198262
Update Time:2025-06-06

1-Aminocyclohexanecarbonitrile hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Aminocyclohexanecarbonitrile hydrochloride
    • 1-aminocyclohexane-1-carbonitrile,hydrochloride
    • Cyclohexanecarbonitrile,1-amino-, hydrochloride (1:1)
    • 1-aminocyclohexanecarbonitrile hydrochloride (1:1)
    • Cyano-1 amino-1 cyclohexane hydrochloride
    • Cyclohexanecarbonitrile, 1-amino-, hydrochloride
    • CYCLOHEXANECARBONITRILE, 1-AMINO-, HYDROCHLORIDE (1:1)
    • 50846-38-3
    • 1-cyanocyclohexylamine hydrochloride
    • NS00089124
    • CS-10092
    • SCHEMBL696355
    • Cyclohexanecarbonitrile, 1-amino-, monohydrochloride
    • 1-aminocyclohexane-1-carbonitrile hydrochloride
    • 1-aminocyclohexane-1-carbonitrile;hydrochloride
    • FT-0652963
    • ZUJ5VG3847
    • UZDHDPDJHBPQTQ-UHFFFAOYSA-N
    • MFCD01734623
    • 1-aminocyclohexanecarbonitrile HCl
    • A828319
    • 1-aminocyclohexanecarbonitrilehydrochloride
    • AKOS015847763
    • TS-02136
    • UNII-ZUJ5VG3847
    • CS-0168258
    • EINECS 256-797-2
    • DTXSID50198885
    • DB-071263
    • MDL: MFCD01734623
    • Inchi: 1S/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H
    • InChI Key: UZDHDPDJHBPQTQ-UHFFFAOYSA-N
    • SMILES: Cl.NC1(C#N)CCCCC1

Computed Properties

  • Exact Mass: 160.07689
  • Monoisotopic Mass: 160.076726
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.8

Experimental Properties

  • Boiling Point: 236.2°Cat760mmHg
  • Flash Point: 96.6°C
  • PSA: 49.81

1-Aminocyclohexanecarbonitrile hydrochloride Pricemore >>

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