Cas no 7468-03-3 (3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium)

3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium structure
7468-03-3 structure
Product Name:3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium
CAS No:7468-03-3
MF:C18H31IN2
MW:402.356617212296
CID:979815
PubChem ID:24200715
Update Time:2025-04-19

3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium Chemical and Physical Properties

Names and Identifiers

    • 3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium
    • 3-[3-(Dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidin-1-ium iodide
    • 7468-03-3
    • NSC400723
    • NSC-400723
    • DTXSID80639453
    • 3-(1,1-Dimethyl-3-phenyl-2,4,5,6-tetrahydropyridin-3-yl)-n,n-dimethyl-propan-1-amine
    • DS-004491
    • Inchi: 1S/C18H31N2.HI/c1-19(2)14-8-12-18(17-10-6-5-7-11-17)13-9-15-20(3,4)16-18;/h5-7,10-11H,8-9,12-16H2,1-4H3;1H/q+1;/p-1
    • InChI Key: WYMQZVCKQSINIF-UHFFFAOYSA-M
    • SMILES: [I-].[N+]1(C)(C)CCCC(C2C=CC=CC=2)(CCCN(C)C)C1

Computed Properties

  • Exact Mass: 275.24893
  • Monoisotopic Mass: 402.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 292
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 3.2A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 3.24
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