Cas no 101053-34-3 (Alline)

Alline structure
Alline structure
Product Name:Alline
CAS No:101053-34-3
MF:C11H14N2O
MW:190.241662502289
CID:234363
PubChem ID:73124019
Update Time:2025-04-19

Alline Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[2,3-b]indol-3a(1H)-ol,2,3,8,8a-tetrahydro-1-methyl-, (3aR,8aS)-
    • Alline
    • Pyrrolo[2,3-b]indol-3a(1H)-ol,2,3,8,8a-tetrahydro-1-methyl-, (3aR-cis)-
    • 3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
    • 101053-34-3
    • 2,3,8,8a-Tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-ol, 9CI
    • CHEMBL4169161
    • CHEBI:193984
    • DTXSID701163595
    • (3aR,8aS)-2,3,8,8a-Tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-ol
    • Inchi: 1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3
    • InChI Key: CBQYNPHHHJTCJS-UHFFFAOYSA-N
    • SMILES: OC12C3C=CC=CC=3NC1N(C)CC2

Computed Properties

  • Exact Mass: 190.110613074g/mol
  • Monoisotopic Mass: 190.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 245
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.50000
  • LogP: 1.03720

Alline Pricemore >>

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