Cas no 92585-03-0 (N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine)

N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine structure
92585-03-0 structure
Product Name:N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine
CAS No:92585-03-0
MF:C13H21N5O4
MW:311.336942434311
CID:814086
Update Time:2023-08-03

N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine,N1-(3-aminopropyl)-N3-(2,4-dinitrophenyl)-N1-methyl-
    • 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine
    • N-(3-Aminopropyl)-N'-(2,4-dinitrophenyl)-N-methyl-1,3-propanediam ine
    • Dnaamp
    • N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine
    • N-[3-[3-Aminopropyl(methyl)amino]propyl]-2,4-dinitroaniline
    • N-(3-((2,4-dinitrophenyl)-amino)propyl)-N-(3-aminopropyl)methylamine
    • N~1~-(3-Aminopropyl)-N~3~-(2,4-dinitrophenyl)-N~1~-methylpropane-1,3-diamine
    • 1,3-Propanediamine, N-(3-aminopropyl)-N'-(2,4-dinitrophenyl)-N-methyl-, (S)-
    • Inchi: 1S/C13H21N5O4/c1-16(8-2-6-14)9-3-7-15-12-5-4-11(17(19)20)10-13(12)18(21)22/h4-5,10,15H,2-3,6-9,14H2,1H3
    • InChI Key: VVEKAPJMXBKPAP-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=CC=1NCCCN(C)CCCN)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 311.159
  • Monoisotopic Mass: 311.159
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 357
  • 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
  • Topological Polar Surface Area: 133

Experimental Properties

  • Density: 1.283
  • Boiling Point: 490.5°Cat760mmHg
  • Flash Point: 250.5°C
  • Refractive Index: 1.609
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