Cas no 5464-09-5 ( )

  structure
  structure
Product Name: 
CAS No:5464-09-5
MF:C12H19N3O2
MW:237.298162698746
CID:942334
PubChem ID:230752
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • N-< Diaethylaminoaethyl> -p-nitro-anilin; Maybridge4_000415; AP-124/43382930; N,N-diethyl-N'-(4-nitrophenyl)-1,2-diaminoethane; N,N-diethyl-N'-(4-methoxyphenyl)-Urea; AC1MD7AM; N,N-diethyl-N'-(4-methoxyphenyl)urea; 56015-84-0; ZINC00134158; N,N-Diaethyl-N'-(4-nitro-phenyl)-aethylendiamin; N,N-Diaethyl-N'-(4-methoxy-phenyl)-harnstoff; AC1Q2YX9; N,N-diethyl-N'-(4-nitro-phenyl)-ethylenediamine; N,N-diethyl-N'-(4-methoxy-phenyl)-urea;
    • N(1),N(1)-diethyl-N(2)-(4-nitrophenyl)-1,2-ethanediamine
    • NSC-26016
    • 5464-09-5
    • AKOS008922524
    • N~1~,N~1~-Diethyl-N~2~-(4-nitrophenyl)ethane-1,2-diamine
    • SCHEMBL7169274
    • NSC26016
    • DTXSID50969911
    •  
    • Inchi： 1S/C12H19N3O2/c1-3-14(4-2)10-9-13-11-5-7-12(8-6-11)15(16)17/h5-8,13H,3-4,9-10H2,1-2H3
    • InChI Key： NTSZVWZCBXPHKQ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)NCCN(CC)CC)=O

Computed Properties

  • Exact Mass: 237.14787
  • Monoisotopic Mass: 237.148
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 61.1?2

Experimental Properties

  • Density: 1.127
  • Boiling Point: 377.9°C at 760 mmHg
  • Flash Point: 182.4°C
  • Refractive Index: 1.572
  • PSA: 58.41
  • LogP: 2.94470

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