N-Methyl-N-(B-Hydroxyethyl)Guanidine O-Phosphate

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Properties Simple | Detailed

Formula C4H12N3O4P
IUPAC Name 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
Molecular Mass 197.130 g·mol−1
Heat of Formation -968.1 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 216.69 Å 3
Surface Area 198.64 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-hydroxyethyl)-1-methylguanidine dihydrogen phosphate (ester)
  • 2-(amidino-methyl-amino)ethyl dihydrogen phosphate
  • 2-(carbamimidoyl-methyl-amino)ethyl dihydrogen phosphate
  • 2-(carbamimidoyl-methylamino)ethyl dihydrogen phosphate
  • aplodan
  • creatinol o-phosphate
  • creatinol phosphate
  • creatinolfosfate
  • guanidine, 1-(2-hydroxyethyl)-1-methyl-, dihydrogen phosphate (ester)
  • guanidine, n-methyl-n-(2-(phosphonooxy)ethyl)-, (9ci)
  • n-methyl-n-(2-(phosphonooxy)ethyl)guanidine
  • n-methyl-n-(beta-hydroxyethyl)guanidine o-phosphate
CAS Number(s)
  • 6903-79-3
InChIKey FOIPWTMKYXWFGC-UHFFFAOYSA-N
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