N-(4-Aminobutyl)-β-Alanine

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Properties Simple | Detailed

Formula C7H16N2O2
IUPAC Name 3-(4-aminobutylamino)propanoic acid
Molecular Mass 160.214 g·mol−1
Heat of Formation -448.7 ± 16.7 kJ·mol−1
Dipole Moment 1.24 ± 1.08 D
Volume 215.37 Å 3
Surface Area 222.42 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 3.84 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-aminobutylamino)propionic acid
  • beta-alanine, n-(4-aminobutyl)-
  • n-(4-aminobutyl)-3-aminopropionic acid
  • putreanine
CAS Number(s)
  • 25887-39-2
InChIKey BTSHXVLJDRJCMM-UHFFFAOYSA-N
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