ChemSpider 2D Image | 1-[(E)-{2-[(5-{3-[(Diaminomethylene)amino]propyl}-3,7-dihydroxy-1-methyl-4,5-dihydro-1H-1,4-diazepin-2-yl)methyl]hydrazino}methylene]urea | C13H25N9O3

1-[(E)-{2-[(5-{3-[(Diaminomethylene)amino]propyl}-3,7-dihydroxy-1-methyl-4,5-dihydro-1H-1,4-diazepin-2-yl)methyl]hydrazino}methylene]urea

  • Molecular FormulaC13H25N9O3
  • Average mass355.396 Da
  • Monoisotopic mass355.208038 Da
  • ChemSpider ID95694284

More details:

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

1-[(E)-{2-[(5-{3-[(Diaminomethylen)amino]propyl}-3,7-dihydroxy-1-methyl-4,5-dihydro-1H-1,4-diazepin-2-yl)methyl]hydrazino}methylen]harnstoff [German] [ACD/IUPAC Name]
1-[(E)-{2-[(5-{3-[(Diaminomethylene)amino]propyl}-3,7-dihydroxy-1-methyl-4,5-dihydro-1H-1,4-diazepin-2-yl)methyl]hydrazino}methylene]urea [ACD/IUPAC Name]
1-[(E)-{2-[(5-{3-[(Diaminométhylène)amino]propyl}-3,7-dihydroxy-1-méthyl-4,5-dihydro-1H-1,4-diazépin-2-yl)méthyl]hydrazino}méthylène]urée [French] [ACD/IUPAC Name]
Methanimidic acid, N''-(aminocarbonyl)-, 2-[[5-[3-[(diaminomethylene)amino]propyl]-4,5-dihydro-3,7-dihydroxy-1-methyl-1H-1,4-diazepin-2-yl]methyl]hydrazide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 87.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 229.0±7.0 cm3

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