Cas no 101077-15-0 (3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2))

3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2) structure
101077-15-0 structure
Product Name:3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2)
CAS No:101077-15-0
MF:C15H24Cl2N2
MW:303.270462036133
CID:207048
PubChem ID:58175
Update Time:2025-04-19

3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2) Chemical and Physical Properties

Names and Identifiers

    • 3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2)
    • 3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonane,dihydrochloride
    • 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-METHYL-, DIHYDROCHLORIDE
    • 3-Benzyl-9-methyl-3,9-diazabicyclo(3.3.1)nonane dihydrochloride
    • AC1L1OFN
    • AC1Q3APC
    • LS-59623
    • DTXSID70905932
    • 3-Benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/2)
    • 101077-15-0
    • Inchi： 1S/C15H22N2.2ClH/c1-16-14-8-5-9-15(16)12-17(11-14)10-13-6-3-2-4-7-13;;/h2-4,6-7,14-15H,5,8-12H2,1H3;2*1H
    • InChI Key： XBSCMOVDPUVXPF-UHFFFAOYSA-N
    • SMILES： Cl.Cl.N1(C)C2CN(CC3C=CC=CC=3)CC1CCC2

Computed Properties

  • Exact Mass: 302.13192
  • Monoisotopic Mass: 302.131654
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 233
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 6.5

Experimental Properties

  • Boiling Point: 325°Cat760mmHg
  • Flash Point: 139.4°C
  • PSA: 6.48
  • LogP: 3.83490

3,9-Diazabicyclo[3.3.1]nonane,9-methyl-3-(phenylmethyl)-, hydrochloride (1:2) Related Literature

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