ChemSpider 2D Image | (3aS,9aR)-3a-Ethyltetrahydro-7H-imidazo[4,5-d]pyrrolo[1,2-c]imidazole-2,5(1H,3H)-diimine | C9H16N6

(3aS,9aR)-3a-Ethyltetrahydro-7H-imidazo[4,5-d]pyrrolo[1,2-c]imidazole-2,5(1H,3H)-diimine

  • Molecular FormulaC9H16N6
  • Average mass208.264 Da
  • Monoisotopic mass208.143646 Da
  • ChemSpider ID35516964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,9aR)-3a-Ethyltetrahydro-7H-imidazo[4,5-d]pyrrolo[1,2-c]imidazol-2,5(1H,3H)-diimin [German] [ACD/IUPAC Name]
(3aS,9aR)-3a-Ethyltetrahydro-7H-imidazo[4,5-d]pyrrolo[1,2-c]imidazole-2,5(1H,3H)-diimine [ACD/IUPAC Name]
(3aS,9aR)-3a-Éthyltétrahydro-7H-imidazo[4,5-d]pyrrolo[1,2-c]imidazole-2,5(1H,3H)-diimine [French] [ACD/IUPAC Name]
7H-Imidazo[4,5-d]pyrrolo[1,2-c]imidazole-2,5(1H,3H)-diimine, 3a-ethyltetrahydro-, (3aS,9aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 302.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 136.7±30.7 °C
Index of Refraction: 1.860
Molar Refractivity: 54.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 87.0±7.0 dyne/cm
Molar Volume: 120.3±7.0 cm3

Click to predict properties on the Chemicalize site


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