ChemSpider 2D Image | 3-(2'-Amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl)benzonitrile | C21H20N4O2

3-(2'-Amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl)benzonitrile

  • Molecular FormulaC21H20N4O2
  • Average mass360.409 Da
  • Monoisotopic mass360.158630 Da
  • ChemSpider ID29408375

More details:

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

3-(2'-Amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl)benzonitril [German] [ACD/IUPAC Name]
3-(2'-Amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl)benzonitrile [ACD/IUPAC Name]
3-(2'-Amino-1',2,2-triméthyl-5'-oxo-1',2,3,5'-tétrahydrospiro[chromene-4,4'-imidazol]-6-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(2'-amino-1',2,3,5'-tetrahydro-1',2,2-trimethyl-5'-oxospiro[4H-1-benzopyran-4,4'-[4H]imidazol]-6-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 295.9±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.22
ACD/KOC (pH 5.5): 880.31
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.22
ACD/KOC (pH 7.4): 880.33
Polar Surface Area: 92 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

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