Cas no 443649-14-7 ((4S,6S)-6-(Hydroxymethyl)diazinan-4-ol)

(4S,6S)-6-(Hydroxymethyl)diazinan-4-ol structure
443649-14-7 structure
Product Name:(4S,6S)-6-(Hydroxymethyl)diazinan-4-ol
CAS No:443649-14-7
MF:C5H12N2O2
MW:132.160981178284
CID:327432
Update Time:2023-08-02

(4S,6S)-6-(Hydroxymethyl)diazinan-4-ol Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridazinemethanol,hexahydro-5-hydroxy-, (3S,5S)-
    • 3-Pyridazinemethanol,hexahydro-5-hydroxy-,(3S,5S)-(9CI)
    • (4S,6S)-6-(Hydroxymethyl)hexahydropyridazin-4-ol
    • (3S)-5alpha-Hydroxyhexahydropyridazine-3alpha-methanol
    • (4S,6S)-6-(Hydroxymethyl)diazinan-4-ol
    • Inchi: 1S/C5H12N2O2/c8-3-4-1-5(9)2-6-7-4/h4-9H,1-3H2/t4-,5-/m0/s1
    • InChI Key: YXSAOIXRYYUVAC-WHFBIAKZSA-N
    • SMILES: O[C@@H]1CNN[C@H](CO)C1

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 89
  • Topological Polar Surface Area: 64.5
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