3-Amino-5-[Butyl(Methyl)Amino]-6-Chloro-N-(Diaminomethylene)-2-Pyrazinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18ClN7O
IUPAC Name 3-amino-5-[butyl(methyl)amino]-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
Molecular Mass 299.760 g·mol−1
Heat of Formation -40.3 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 346.09 Å 3
Surface Area 318.93 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-(butyl-methyl-amino)-6-chloro-n-(diaminomethylene)pyrazinamide
  • 3-amino-5-(butyl-methyl-amino)-6-chloro-n-(diaminomethylene)pyrazine-2-carboxamide
  • 3-amino-5-(butyl-methyl-amino)-6-chloro-n-(diaminomethylidene)pyrazine-2-carboxamide
  • 3-amino-5-(butyl-methylamino)-6-chloro-n-(diaminomethylene)-2-pyrazinecarboxamide
  • 5-(n-butyl-n-methyl)amiloride
  • pyrazinecarboxamide, 3-amino-n-(aminoiminomethyl)-5-(butylmethylamino)-6-chloro-
CAS Number(s)
  • 1154-79-6
InChIKey YKQMBHZIHIJMBG-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl