Cas no 1152111-94-8 ((3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride)

(3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride structure
1152111-94-8 structure
Product Name:(3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride
CAS No:1152111-94-8
MF:C8H13NO
MW:139.194922208786
MDL:MFCD28892940
CID:2084030
PubChem ID:60015669
Update Time:2025-04-21

(3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride
    • (3aR,4S,7R,7aS)-rel-Octahydro-1H-4,7-epoxyisoindole
    • endo-Octahydro-1H-4,7-epoxyisoindole
    • 1152111-94-8
    • rel-(3aR,4S,7R,7aS)-Octahydro-1H-4,7-epoxyisoindole
    • (3As,4R,7S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-4,7-epoxyisoindole
    • 4,7-Epoxy-1H-isoindole, octahydro-, (3aR,4S,7R,7aS)-rel-
    • (1R,2S,6R,7S)-10-OXA-4-AZATRICYCLO[5.2.1.0(2),?]DECANE
    • (3aR,4S,7R,7aS)-octahydro-1H-4,7-epoxyisoindole
    • MDL: MFCD28892940
    • Inchi: 1S/C8H13NO/c1-2-8-6-4-9-3-5(6)7(1)10-8/h5-9H,1-4H2/t5-,6+,7-,8+
    • InChI Key: GPLRZNABQAUBOS-KVFPUHGPSA-N
    • SMILES: O1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12

Computed Properties

  • Exact Mass: 139.099714038g/mol
  • Monoisotopic Mass: 139.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 143
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 21.3?2

(3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole hydrochloride Pricemore >>

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