4-Guanidino-1-Butanol Syringate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H21N3O5
IUPAC Name 4-guanidinobutyl 4-hydroxy-3,5-dimethoxy-benzoate
Molecular Mass 311.334 g·mol−1
Heat of Formation -733.9 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 367.97 Å 3
Surface Area 348.11 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate
  • 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
  • 4-guanidino-n-butyl syringate
  • 4-hydroxy-3,5-dimethoxy-benzoic acid 4-guanidinobutyl ester
  • 4-hydroxy-3,5-dimethoxybenzoic acid 4-guanidinobutyl ester
  • benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester
  • leonurine
CAS Number(s)
  • 24697-74-3
  • 7097-09-8
InChIKey WNGSUWLDMZFYNZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N