Cas no 31602-99-0 (4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo-)

4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- structure
31602-99-0 structure
Product Name:4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo-
CAS No:31602-99-0
MF:C11H20N2O3
MW:228.288103103638
CID:312818
PubChem ID:169822
Update Time:2025-04-19

4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo-
    • 2-methyl-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid
    • 2-methyl-6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid
    • 4-imidazolidinehexanoic acid,
    • A,5-dimethyl-2-oxo-
    • AC1L54HM
    • AC1Q5RZ3
    • .alpha.-Dethiobiotin
    • 4-Imidazolidinehexanoic acid, alpha,5-dimethyl-2-oxo-
    • alpha-Methyldethiobiotin
    • 31602-99-0
    • .alpha.,5-Dimethyl-2-oxo-4-imidazolinehexanoic acid
    • Biotin, .alpha.-methyldethio-
    • DTXSID40958051
    • 6-(2-Hydroxy-4-methyl-4,5-dihydro-1H-imidazol-5-yl)-2-methylhexanoic acid
    • BIOTIN, ALPHA
    • NSC-116327
    • CHEBI:224506
    • DTXSID70276598
    • .alpha.-Methyldethiobiotin
    • NSC116327
    • Inchi： 1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
    • InChI Key： DSLSWBIYQALLJM-UHFFFAOYSA-N
    • SMILES： O=C1NC(C)C(CCCCC(C(=O)O)C)N1

Computed Properties

  • Exact Mass: 228.1475
  • Monoisotopic Mass: 228.14739250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 78.43
  • LogP: 1.99500

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