Cas no 661459-01-4 (5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers)

5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers structure
661459-01-4 structure
Product Name:5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers
CAS No:661459-01-4
MF:C7H14ClNO2
MW:179.644561290741
MDL:MFCD31667937
CID:1703477
PubChem ID:69619338
Update Time:2025-04-21

5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers Chemical and Physical Properties

Names and Identifiers

    • 2-Piperidinecarboxylic acid, 5-methyl-, hydrochloride
    • 5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers
    • XIOIKXGNNACYRJ-UHFFFAOYSA-N
    • 5-methylpiperidine-2-carboxylic acid;hydrochloride
    • SCHEMBL5955727
    • 661459-01-4
    • 5-methyl-piperidine-2-carboxylic acid hydrochloride
    • Z3291973014
    • EN300-2009561
    • 5-methylpiperidine-2-carboxylic acid hydrochloride
    • AT40788
    • MDL: MFCD31667937
    • Inchi: 1S/C7H13NO2.ClH/c1-5-2-3-6(7(9)10)8-4-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
    • InChI Key: XIOIKXGNNACYRJ-UHFFFAOYSA-N
    • SMILES: Cl.OC(C1CCC(C)CN1)=O

Computed Properties

  • Exact Mass: 179.07142
  • Monoisotopic Mass: 179.0713064g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • PSA: 49.33

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