1-[(E)-(2-{[(2S,5S)-5-{3-[(Diaminomethylene)Amino]Propyl}-1-Methyl-3,7-Dioxo-1,4-Diazepan-2-Yl]Methyl}Hydrazino)Methylene]Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C13H25N9O3
IUPAC Name (e)-[2-[[(2s,5s)-5-(3-guanidinopropyl)-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazino]methyleneurea
Molecular Mass 355.396 g·mol−1
Heat of Formation -281.1 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 430.57 Å 3
Surface Area 384.58 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-[2-[[(2s,5s)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazinyl]methylideneurea
  • (e)-[n'-[[(2s,5s)-5-(3-guanidinopropyl)-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]hydrazino]methyleneurea
  • (e)-[n'-[[(2s,5s)-5-(3-guanidinopropyl)-3,7-diketo-1-methyl-1,4-diazepan-2-yl]methyl]hydrazino]methyleneurea
  • tan 1057d
  • tan-1057d
  • urea, ((((5-(3-((aminoiminomethyl)amino)propyl)hexahydro-1-methyl-3,7-dioxo-1h-1,4-diazepin-2-yl)methyl)amino)iminomethyl)-, (2s-cis)-
CAS Number(s)
  • 128126-47-6
InChIKey PNFFUPQADHHLMN-IUCAKERBSA-N
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