Cas no 23462-03-5 (3,9-Diazabicyclo[3.3.1]nonane-9-ethanamine,N,N-dimethyl-3-(phenylmethyl)-, hydrochloride (1:2))

3,9-Diazabicyclo[3.3.1]nonane-9-ethanamine,N,N-dimethyl-3-(phenylmethyl)-, hydrochloride (1:2) structure
23462-03-5 structure
Product Name:3,9-Diazabicyclo[3.3.1]nonane-9-ethanamine,N,N-dimethyl-3-(phenylmethyl)-, hydrochloride (1:2)
CAS No:23462-03-5
MF:C18H31Cl2N3
MW:360.364842653275
CID:258248
PubChem ID:31912
Update Time:2025-04-19

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

Names and Identifiers

    • 3,9-Diazabicyclo[3.3.1]nonane-9-ethanamine,N,N-dimethyl-3-(phenylmethyl)-, hydrochloride (1:2)
    • 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium,dichloride
    • 3-Benzyl-9-(2-(dimethylamino)ethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride
    • 23462-03-5
    • 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)ethyl)-, dihydrochloride
    • 3-Benzyl-N,N-dimethyl-3,9-diazabicyclo(3.3.1)nonane-9-ethylamine dihydrochloride
    • Inchi： 1S/C18H29N3.2ClH/c1-19(2)11-12-21-17-9-6-10-18(21)15-20(14-17)13-16-7-4-3-5-8-16;;/h3-5,7-8,17-18H,6,9-15H2,1-2H3;2*1H
    • InChI Key： CDDPXKFBRVMEEW-UHFFFAOYSA-N
    • SMILES： [Cl-].[Cl-].[NH+]1(CC[NH+](C)C)C2CN(CC3C=CC=CC=3)CC1CCC2

Computed Properties

  • Exact Mass: 327.9471
  • Monoisotopic Mass: 359.19
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 298
  • 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: 12.1A^2

Experimental Properties

  • Boiling Point: 390.1°C at 760 mmHg
  • Flash Point: 189.1°C
  • PSA: 15.04

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

23462-03-5 (3,9-Diazabicyclo[3.3.1]nonane-9-ethanamine,N,N-dimethyl-3-(phenylmethyl)-, hydrochloride (1:2)) Related Products

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