Cas no 497249-34-0 (1H-1,4-Diazepin-6-amine,1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]-)

1H-1,4-Diazepin-6-amine,1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]- structure
497249-34-0 structure
Product Name:1H-1,4-Diazepin-6-amine,1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]-
CAS No:497249-34-0
MF:C18H31N5
MW:317.47224354744
CID:1530777
Update Time:2024-08-23

1H-1,4-Diazepin-6-amine,1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,4-Diazepin-6-amine,1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]-
    • 1H-1,4-Diazepin-6-amine, 1-(4-aminophenyl)hexahydro-4-[3-(1-pyrrolidinyl)propyl]-
    • Inchi: 1S/C18H31N5/c19-16-4-6-18(7-5-16)23-13-12-22(14-17(20)15-23)11-3-10-21-8-1-2-9-21/h4-7,17H,1-3,8-15,19-20H2
    • InChI Key: RPYFOZJCJYAJGY-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=C(N)C=C2)CC(N)CN(CCCN2CCCC2)CC1

Computed Properties

  • Exact Mass: 317.25823

Experimental Properties

  • Density: 1.093±0.06 g/cm3(Predicted)
  • Boiling Point: 507.0±50.0 °C(Predicted)
  • PSA: 61.76
  • pka: 10.39±0.20(Predicted)
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