N-7H-Purin-6-Yl-β-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C8H9N5O2
IUPAC Name 3-(purin-7-ium-6-ylamino)propanoic acid
Molecular Mass 207.189 g·mol−1
Heat of Formation -80.0 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 230.81 Å 3
Surface Area 228.12 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(7h-purin-6-ylamino)propanoic acid
  • 3-(7h-purin-6-ylamino)propionic acid
  • 3-(9h-purin-6-ylamino)-propionic acid
  • bas 00119872
  • beta-alanine, n-1h-purin-6-yl-
  • n(6)-(2-carboxyethyl)adenine
  • n-1h-purin-6-yl-beta-alanine
  • oprea1_424917
CAS Number(s)
  • 73094-99-2
InChIKey ALBHTZMRHDQGAA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N