Cas no 23251-46-9 (1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2))

1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2) structure
23251-46-9 structure
Product Name:1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2)
CAS No:23251-46-9
MF:C16H29Br2N5O4
MW:515.240562200546
CID:262618
PubChem ID:159944
Update Time:2025-04-19

1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2)
    • DTXSID50945937
    • 23251-46-9
    • N,N,N-Trimethyl-N',N'-dimethyl-N'-(beta-2,4-dinitroanilinoethyl)-1,3-diammoniumpropane dibromide
    • Tmdm-DNA
    • 2-(2,4-dinitroanilino)ethyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium;dibromide
    • N~1~-[2-(2,4-Dinitroanilino)ethyl]-N~1~,N~1~,N~3~,N~3~,N~3~-pentamethylpropane-1,3-bis(aminium) dibromide
    • N,N,N-Trimethyl-N',N'-dimethyl-N'-(beta-2,4-dinitroanilinoethyl)-1,3-diammoniumpropane
    • 1,3-Propanediaminium, N-(2-((2,4-dinitrophenyl)amino)ethyl)-N,N,N',N',N'-pentamethyl-
    • Inchi： 1S/C16H29N5O4.2BrH/c1-20(2,3)10-6-11-21(4,5)12-9-17-15-8-7-14(18(22)23)13-16(15)19(24)25;;/h7-8,13,17H,6,9-12H2,1-5H3;2*1H/q+2;;/p-2
    • InChI Key： AXBRZGSJVJBMRZ-UHFFFAOYSA-L
    • SMILES： [Br-].[Br-].[O-][N+](C1C=C(C=CC=1NCC[N+](C)(C)CCC[N+](C)(C)C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 483.8317
  • Monoisotopic Mass: 513.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 453
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 100.38

1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2) Related Literature

23251-46-9 (1,3-Propanediaminium,N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-N1,N1,N3,N3,N3-pentamethyl-, bromide(1:2)) Related Products

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