Cas no 74235-25-9 (2-Piperidinecarboxylicacid, 4-methyl-6-(2-oxobutyl)-, (2S,4R,6S)-)

2-Piperidinecarboxylicacid, 4-methyl-6-(2-oxobutyl)-, (2S,4R,6S)- structure
74235-25-9 structure
Product Name:2-Piperidinecarboxylicacid, 4-methyl-6-(2-oxobutyl)-, (2S,4R,6S)-
CAS No:74235-25-9
MF:C11H19NO3
MW:213.273463487625
CID:566376
PubChem ID:194574
Update Time:2025-04-19

2-Piperidinecarboxylicacid, 4-methyl-6-(2-oxobutyl)-, (2S,4R,6S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Piperidinecarboxylicacid, 4-methyl-6-(2-oxobutyl)-, (2S,4R,6S)-
    • 4-methyl-6-(2-oxobutyl)-2-piperidinecarboxylic acid
    • 4-Mopc
    • DTXSID10995716
    • 4-methyl-6-(2-oxobutyl)piperidine-2-carboxylic acid
    • 2-Piperidinecarboxylic acid, 4-methyl-6-(2-oxobutyl)-, (2S-(2alpha,4alpha,6beta))-
    • 74235-25-9
    • Inchi: 1S/C11H19NO3/c1-3-9(13)6-8-4-7(2)5-10(12-8)11(14)15/h7-8,10,12H,3-6H2,1-2H3,(H,14,15)/t7-,8+,10+/m1/s1
    • InChI Key: TTYVMAIXDAWXKQ-WEDXCCLWSA-N
    • SMILES: OC([C@@H]1C[C@H](C)C[C@@H](CC(CC)=O)N1)=O

Computed Properties

  • Exact Mass: 213.136
  • Monoisotopic Mass: 213.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.4
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Density: 1.053
  • Boiling Point: 339.8°C at 760 mmHg
  • Flash Point: 159.3°C
  • Refractive Index: 1.463
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