Cas no 22143-50-6 ((1S,6R,7R,7aS)-N,N-dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine)

(1S,6R,7R,7aS)-N,N-dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine structure
22143-50-6 structure
Product Name:(1S,6R,7R,7aS)-N,N-dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine
CAS No:22143-50-6
MF:C9H16N2O
MW:168.236142158508
CID:1411035
PubChem ID:14488249
Update Time:2025-04-20

(1S,6R,7R,7aS)-N,N-dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine Chemical and Physical Properties

Names and Identifiers

    • (1S,6R,7R,7aS)-N,N-dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine
    • N-Methylloline
    • NML
    • 22143-50-6
    • Loline, N-methyl-
    • CHEBI:210176
    • 2,4-Methano-4H-furo(3,2-b)pyrrol-3-amine, hexahydro-N,N-dimethyl-, (2R-(2-alpha,3-alpha,3a-beta,4-alpha,6a-beta))-
    • (1R,3S,7S,8R)-N,N-dimethyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
    • N,N-Dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine
    • DTXSID80944791
    • SCHEMBL18821979
    • Inchi: 1S/C9H16N2O/c1-10(2)8-7-5-11-4-3-6(12-7)9(8)11/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
    • InChI Key: FIWXXQWEVIQSAB-UYXSQOIJSA-N
    • SMILES: O1[C@@H]2CN3CC[C@H]1[C@@H]3[C@H]2N(C)C

Computed Properties

  • Exact Mass: 168.12638
  • Monoisotopic Mass: 168.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 15.7?2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.17
  • Boiling Point: 235.4°C at 760 mmHg
  • Flash Point: 68°C
  • Refractive Index: 1.57
  • PSA: 15.71
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