Cas no 68039-17-8 (N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine)

N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine structure
68039-17-8 structure
Product Name:N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine
CAS No:68039-17-8
MF:C13H22N4O2
MW:266.339382648468
CID:968417
PubChem ID:106432
Update Time:2025-04-19

N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine Chemical and Physical Properties

Names and Identifiers

    • N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine
    • N'-methyl-N'-[3-(2-nitroanilino)propyl]propane-1,3-diamine
    • 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)-
    • 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-
    • N-(3-Aminopropyl)-N-methyl-N'-(2-nitrophenyl)-1,3-propanediamine
    • N1-(3-Aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-1,3-propanediamine
    • 68039-17-8
    • NS00036358
    • EINECS 268-235-3
    • MMN2SVD579
    • DTXSID4071009
    • WRRAOGAZOQEGQE-UHFFFAOYSA-N
    • Inchi： 1S/C13H22N4O2/c1-16(10-4-8-14)11-5-9-15-12-6-2-3-7-13(12)17(18)19/h2-3,6-7,15H,4-5,8-11,14H2,1H3
    • InChI Key： WRRAOGAZOQEGQE-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC=CC=1NCCCN(C)CCCN)=O

Computed Properties

  • Exact Mass: 266.17446
  • Monoisotopic Mass: 266.174276
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 258
  • 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: 87.1

Experimental Properties

  • Density: 1.154
  • Boiling Point: 435.1°C at 760 mmHg
  • Flash Point: 217°C
  • Refractive Index: 1.586
  • PSA: 84.43

N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine Related Literature

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