3-[5-(Aminomethyl)-2-Bromo-4-(Carboxymethyl)-1H-Pyrrol-3-Yl]Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13BrN2O4
IUPAC Name 3-[5-(aminomethyl)-2-bromo-4-(carboxymethyl)pyrrol-1-ium-5-ylium-3-yl]propanoic acid
Molecular Mass 305.125 g·mol−1
Heat of Formation -720.1 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 297.59 Å 3
Surface Area 271.66 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-propanoic acid, 5-(aminomethyl)-2-bromo-4-(carboxymethyl)-
  • 2-bromoporphobilinogen
  • 3-[5-(aminomethyl)-2-bromo-4-(carboxymethyl)-1h-pyrrol-3-yl]propionic acid
  • alpha-bromoporphobilinogen
CAS Number(s)
  • 115828-91-6
InChIKey KBACDURQNLFTOL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N