ChemSpider 2D Image | N-{N-[3-(1H-Imidazol-4-yl)propyl]carbamimidoyl}acetamide | C9H15N5O

N-{N-[3-(1H-Imidazol-4-yl)propyl]carbamimidoyl}acetamide

  • Molecular FormulaC9H15N5O
  • Average mass209.248 Da
  • Monoisotopic mass209.127655 Da
  • ChemSpider ID24685941

More details:






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

Acetamide, N-[(1E)-amino[[3-(1H-imidazol-4-yl)propyl]amino]methylene]- [ACD/Index Name]
N-{N-[3-(1H-Imidazol-4-yl)propyl]carbamimidoyl}acetamid [German] [ACD/IUPAC Name]
N-{N-[3-(1H-Imidazol-4-yl)propyl]carbamimidoyl}acetamide [ACD/IUPAC Name]
N-{N-[3-(1H-Imidazol-4-yl)propyl]carbamimidoyl}acétamide [French] [ACD/IUPAC Name]
10.1021/jm9000693
UR-PI288

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 474.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.7±29.3 °C
Index of Refraction: 1.616
Molar Refractivity: 56.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 96 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 161.0±7.0 cm3

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