N-[3-({3-[(3-Aminopropyl)Amino]Propyl}Amino)Propyl]-1,4-Butanediamine

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Properties Simple | Detailed

Formula C13H33N5
IUPAC Name n'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
Molecular Mass 259.435 g·mol−1
Heat of Formation -93.1 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 387.71 Å 3
Surface Area 314.18 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-butanediamine, n-(3-((3-((3-aminopropyl)amino)propyl)amino)propyl)-
  • 1,6-diamino-4,8,12-triazahexadecane
  • 3-(4-aminobutylamino)propyl-[3-(3-aminopropylamino)propyl]amine
  • homocaldopentamine
  • n-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
CAS Number(s)
  • 84807-66-9
InChIKey FPTWYQKWFMIJPT-UHFFFAOYSA-N
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Elements H C N