ChemSpider 2D Image | 1-{[Nitro(propyl)amino]methyl}urea | C5H12N4O3

1-{[Nitro(propyl)amino]methyl}urea

  • Molecular FormulaC5H12N4O3
  • Average mass176.174 Da
  • Monoisotopic mass176.090942 Da
  • ChemSpider ID26491262

More details:

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

1-{[Nitro(propyl)amino]methyl}harnstoff [German] [ACD/IUPAC Name]
1-{[Nitro(propyl)amino]methyl}urea [ACD/IUPAC Name]
1-{[Nitro(propyl)amino]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[(nitropropylamino)methyl]- [ACD/Index Name]
[NITRO(PROPYL)AMINO]METHYLUREA
{[NITRO(PROPYL)AMINO]METHYL}UREA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 362.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 173.0±25.7 °C
Index of Refraction: 1.510
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.77
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.76
Polar Surface Area: 104 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 140.7±3.0 cm3

Click to predict properties on the Chemicalize site


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