Cas no 567-38-4 (rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine)

rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine structure
567-38-4 structure
Product Name:rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CAS No:567-38-4
MF:C8H15N
MW:125.211402177811
CID:2684120
PubChem ID:639426
Update Time:2025-04-21

rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine Chemical and Physical Properties

Names and Identifiers

    • 567-38-4
    • rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
    • DTXSID001314307
    • InChI=1/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8+/m1/s
    • (-)-Pseudoheliotridane
    • 1H-pyrrolizine, hexahydro-1-methyl-, (1R,7aS)-
    • Inchi: 1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
    • InChI Key: BFHBAQJJQJPDGF-SFYZADRCSA-N
    • SMILES: N12CCC[C@H]1[C@H](C)CC2

Computed Properties

  • Exact Mass: 125.120449483g/mol
  • Monoisotopic Mass: 125.120449483g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 111
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 3.2?2
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