Cas no 14549-76-9 (1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]-)

1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]- structure
14549-76-9 structure
Product Name:1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]-
CAS No:14549-76-9
MF:C19H26N4
MW:310.436543941498
CID:142660
PubChem ID:26735
Update Time:2025-04-19

1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]-
    • 1,4-bis(2-pyridin-2-ylethyl)-1,4-diazepane
    • Hexahydro-1,4-bis[2-(2-pyridyl)ethyl]-1H-1,4-diazepine
    • Bis-1,4-(beta-2-pyridylethyl)homopiperazine
    • 1,4-Bis(beta-2-pyridylethyl)-hexahydro-1H-1,4-diazepine
    • 14549-76-9
    • BRN 0548520
    • DTXSID50163078
    • 1H-1,4-DIAZEPINE, HEXAHYDRO-, 1,4-BIS(2-(2-PYRIDYL)ETHYL)-
    • Inchi： 1S/C19H26N4/c1-3-10-20-18(6-1)8-14-22-12-5-13-23(17-16-22)15-9-19-7-2-4-11-21-19/h1-4,6-7,10-11H,5,8-9,12-17H2
    • InChI Key： MRJAQCRGHRRVGK-UHFFFAOYSA-N
    • SMILES： N1(CCC2C=CC=CN=2)CCCN(CCC2C=CC=CN=2)CC1

Computed Properties

  • Exact Mass: 310.21598
  • Monoisotopic Mass: 310.216
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 293
  • 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
  • Topological Polar Surface Area: 32.3A^2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.073
  • Boiling Point: 440.2°C at 760 mmHg
  • Flash Point: 220°C
  • Refractive Index: 1.563
  • PSA: 32.26

1H-1,4-Diazepine,hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]- Related Literature

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