4-(3,5-Bis{[bis(2-pyridinylmethyl)amino]methyl}phenoxy)-1-butanamine | CAS No. 819066-98-3

4-(3,5-Bis{[bis(2-pyridinylmethyl)amino]methyl}phenoxy)-1-butanamine

Basic Information

CAS Number

819066-98-3

Molecular Formula

C36H41N7O

Molecular Weight

587.77 g/mol

AD

Basic Physical Properties

Density

1.186±0.06 g/cm3 (20 ºC 760 Torr),

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC(=CC(=C3)OCCCCN)CN(CC4=CC=CC=N4)CC5=CC=CC=N5

InChI

InChI=1S/C36H41N7O/c37-15-5-10-20-44-36-22-30(24-42(26-32-11-1-6-16-38-32)27-33-12-2-7-17-39-33)21-31(23-36)25-43(28-34-13-3-8-18-40-34)29-35-14-4-9-19-41-35/h1-4,6-9,11-14,16-19,21-23H,5,10,15,20,24-29,37H2

InChIKey

FEVOBWVBEWNARB-UHFFFAOYSA-N

LogP

5.789100000000005

Topological Polar Surface Area

93.28999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

664

Synonyms & References

English

  • N,N'-((5-(4-Aminobutoxy)-1,3-phenylene)bis(methylene))bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine)
  • SCHEMBL15810335
  • 819066-98-3
  • 5-(4-aminobutoxy)-n,n,n,n-tetrakis(2-pyridinylmethyl)-1,3-benzenedimethanamine
  • CID 90230614
  • 4-[3,5-Bis[bis(2-pyridylmethyl)aminomethyl]phenoxy]-1-butaneamine
  • 4-[3,5-bis({[bis(pyridin-2-ylmethyl)amino]methyl})phenoxy]butan-1-amine
  • 4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butan-1-amine
  • DPA-DC1

MDL Number

MFCD30478597

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