ChemSpider 2D Image | (3aS,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-one | C18H20N6O

(3aS,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-one

  • Molecular FormulaC18H20N6O
  • Average mass336.391 Da
  • Monoisotopic mass336.169861 Da
  • ChemSpider ID62572642

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,5E,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-on [German] [ACD/IUPAC Name]
(3aS,5E,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-one [ACD/IUPAC Name]
(3aS,5E,6aR)-4-Amino-5-imino-1,3-diméthyl-3a,6a-diphénylhexahydroimidazo[4,5-d]imidazol-2(1H)-one [French] [ACD/IUPAC Name]
(3aS,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-on [German] [ACD/IUPAC Name]
(3aS,6aR)-4-Amino-5-imino-1,3-dimethyl-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-2(1H)-one [ACD/IUPAC Name]
(3aS,6aR)-4-Amino-5-imino-1,3-diméthyl-3a,6a-diphénylhexahydroimidazo[4,5-d]imidazol-2(1H)-one [French] [ACD/IUPAC Name]
Imidazo[4,5-d]imidazol-2(1H)-one, 4-aminohexahydro-5-imino-1,3-dimethyl-3a,6a-diphenyl-, (3aS,5E,6aR)- [ACD/Index Name]
Imidazo[4,5-d]imidazol-2(1H)-one, 4-aminohexahydro-5-imino-1,3-dimethyl-3a,6a-diphenyl-, (3aS,6aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.16
ACD/KOC (pH 5.5): 189.68
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.45
ACD/KOC (pH 7.4): 211.57
Polar Surface Area: 89 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 245.2±7.0 cm3

Click to predict properties on the Chemicalize site


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