ChemSpider 2D Image | 1-(N'-{[(2R)-5-{3-[(Diaminomethylene)amino]propyl}-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl}carbamimidoyl)urea | C13H25N9O3

1-(N'-{[(2R)-5-{3-[(Diaminomethylene)amino]propyl}-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl}carbamimidoyl)urea

  • Molecular FormulaC13H25N9O3
  • Average mass355.396 Da
  • Monoisotopic mass355.208038 Da
  • ChemSpider ID78438564

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(N'-{[(2R)-5-{3-[(Diaminomethylen)amino]propyl}-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl}carbamimidoyl)harnstoff [German] [ACD/IUPAC Name]
1-(N'-{[(2R)-5-{3-[(Diaminomethylene)amino]propyl}-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl}carbamimidoyl)urea [ACD/IUPAC Name]
1-(N'-{[(2R)-5-{3-[(Diaminométhylène)amino]propyl}-1-méthyl-3,7-dioxo-1,4-diazépan-2-yl]méthyl}carbamimidoyl)urée [French] [ACD/IUPAC Name]
Urea, N-[(E)-amino[[[(2R)-5-[3-[(diaminomethylene)amino]propyl]hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin-2-yl]methyl]imino]methyl]- [ACD/Index Name]
Tan-1057C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -6.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 76.0±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

Click to predict properties on the Chemicalize site


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