N-{4-[(3-Aminopropyl)Amino]Butyl}-β-Alanine

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Formula C10H23N3O2
IUPAC Name 3-[4-(3-aminopropylamino)butylamino]propanoic acid
Molecular Mass 217.309 g·mol−1
Heat of Formation -450.7 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 296.51 Å 3
Surface Area 299.07 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cesp
  • 3-[4-(3-aminopropylamino)butylamino]propionic acid
  • beta-alanine, n-(4-((3-aminopropyl)amino)butyl)-
  • n(8)-(2-carboxyethyl)spermidine
  • n(8)-2-carboxyethylspermidine
  • n-(3-aminopropyl)-n(4)-(2-carboxyethyl)-1,4-diaminobutane
CAS Number(s)
  • 66165-34-2
InChIKey JQNGEJIUZQDHIS-UHFFFAOYSA-N
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