Cas no 7498-96-6 (1,4-Pentanediamine,N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethyl-)

1,4-Pentanediamine,N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethyl- structure
7498-96-6 structure
Product Name:1,4-Pentanediamine,N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethyl-
CAS No:7498-96-6
MF:C21H33N3O
MW:343.506225347519
CID:574356
PubChem ID:225018
Update Time:2025-04-19

1,4-Pentanediamine,N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Pentanediamine,N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethyl-
    • NSC407505
    • N~4~-(6-Ethoxy-3-methylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine
    • NSC-407505
    • DTXSID10279760
    • 7498-96-6
    • Inchi: 1S/C21H33N3O/c1-6-24(7-2)13-9-10-17(5)23-21-16(4)15-22-20-12-11-18(25-8-3)14-19(20)21/h11-12,14-15,17H,6-10,13H2,1-5H3,(H,22,23)
    • InChI Key: UFJJDDDEZBABNG-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC2C(C=1)=C(C(C)=CN=2)NC(C)CCCN(CC)CC

Computed Properties

  • Exact Mass: 343.26259
  • Monoisotopic Mass: 343.262
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 10
  • Complexity: 361
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • Density: 1.032
  • Boiling Point: 491.8°C at 760 mmHg
  • Flash Point: 251.2°C
  • Refractive Index: 1.566
  • PSA: 37.39
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