ChemSpider 2D Image | para-amino-Blebbistatin | C18H17N3O2

para-amino-Blebbistatin

  • Molecular FormulaC18H17N3O2
  • Average mass307.346 Da
  • Monoisotopic mass307.132080 Da
  • ChemSpider ID81407800

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3aS)-1-(4-Aminophenyl)-3a-hydroxy-6-methyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]chinolin-4-on [German] [ACD/IUPAC Name]
(3aS)-1-(4-Aminophényl)-3a-hydroxy-6-méthyl-1,2,3,3a-tétrahydro-4H-pyrrolo[2,3-b]quinoléin-4-one [French] [ACD/IUPAC Name]
(3aS)-1-(4-Aminophenyl)-3a-hydroxy-6-methyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one [ACD/IUPAC Name]
2097734-03-5 [RN]
4H-Pyrrolo[2,3-b]quinolin-4-one, 1-(4-aminophenyl)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-, (3aS)- [ACD/Index Name]
para-amino-Blebbistatin
(3aS)-1-(4-aminophenyl)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-4H-pyrrolo[2,3-b]quinolin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 62.93
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 96.22
Polar Surface Area: 79 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 219.6±7.0 cm3

Click to predict properties on the Chemicalize site


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