Cas no 54229-13-9 (1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1))

1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1) structure
54229-13-9 structure
Product Name:1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1)
CAS No:54229-13-9
MF:C21H29Cl2N5O3
MW:470.392662763596
CID:373828
PubChem ID:103880
Update Time:2025-04-19

1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1)
    • [2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium chloride
    • (2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium chloride
    • 1-Propanaminium, N-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dime
    • 1-Propanaminium, N-(2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, chloride (1:1)
    • 2-(Ethyl(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-N,N-dimethyl-N-(2-hydroxypropyl)ethanaminium, chloride
    • 2-[Ethyl[4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-N,N-dimethyl-N-(2-hydroxypropyl)ethanaminium, chloride
    • 1-propanaminium, n-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]
    • 1-Propanaminium, N-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, chloride
    • DTXSID20886085
    • 1-Propanaminium, N-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, chloride
    • EINECS 259-033-6
    • NS00057930
    • 54229-13-9
    • 1-Propanaminium, N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, chloride (1:1)
    • W-111086
    • Inchi： 1S/C21H29ClN5O3.ClH/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H/q+1;/p-1/b24-23+;
    • InChI Key： ACBFJDARQXVXLX-XMXXDQCKSA-M
    • SMILES： ClC1C=C(C=CC=1/N=N/C1C=CC(=CC=1)N(CC)CC[N+](C)(C)CC(C)O)[N+](=O)[O-].[Cl-]

Computed Properties

  • Exact Mass: 439.938
  • Monoisotopic Mass: 469.165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 10
  • Complexity: 563
  • 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: 94?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 101.86

1-Propanaminium,N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-,chloride (1:1) Related Literature

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