Ethyl N-Acetyl-N-Butyl-β-Alaninate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H21NO3
IUPAC Name ethyl 3-[acetyl(butyl)amino]propanoate
Molecular Mass 215.289 g·mol−1
Heat of Formation -710.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 289.35 Å 3
Surface Area 278.59 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 4.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(acetyl-butyl-amino)propionic acid ethyl ester
  • 3-(acetyl-butylamino)propanoic acid ethyl ester
  • 3-(n-n-butyl-n-acetyl)aminopropionic acid ethyl ester
  • baape
  • beta-alanine, n-acetyl-n-butyl-, ethyl ester
  • ebaap
  • ethyl 3-(acetyl-butyl-amino)propanoate
  • ethyl 3-(acetyl-butylamino)propanoate
  • ethyl 3-(butyl-ethanoyl-amino)propanoate
  • ethyl butylacetylaminopropionate
  • ir 3535
  • merck 3535
  • n-acetyl-n-butyl-beta-alanine, ethyl ester
  • repellent 3535
CAS Number(s)
  • 362607-57-6
  • 52304-36-6
InChIKey VZRKEAFHFMSHCD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N