Cas no 70832-33-6 (cinchonan-6',9-diol dihydrochloride)

cinchonan-6',9-diol dihydrochloride structure
70832-33-6 structure
Product Name:cinchonan-6',9-diol dihydrochloride
CAS No:70832-33-6
MF:C19H24Cl2N2O2
MW:383.312063217163
CID:1747119
PubChem ID:118988653
Update Time:2025-04-21

cinchonan-6',9-diol dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • cinchonan-6',9-diol dihydrochloride
    • 4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol,dihydrochloride
    • DTXSID10991091
    • Cinchonan-6',9-diol--hydrogen chloride (1/2)
    • 70832-33-6
    • Inchi: 1S/C19H22N2O2.2ClH/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17;;/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2;2*1H/t12-,13-,18+,19-;;/m0../s1
    • InChI Key: WCXQIMMIWZFRJT-KGEIVCMPSA-N
    • SMILES: Cl.Cl.O[C@@H](C1C=CN=C2C=CC(=CC=12)O)[C@H]1C[C@@H]2CCN1C[C@@H]2C=C

Computed Properties

  • Exact Mass: 382.121483
  • Monoisotopic Mass: 382.121483
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 443
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 56.6

Experimental Properties

  • Boiling Point: 514.6°C at 760 mmHg
  • Flash Point: 265°C
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