ChemSpider 2D Image | (R)-imexon | C4H5N3O

(R)-imexon

  • Molecular FormulaC4H5N3O
  • Average mass111.102 Da
  • Monoisotopic mass111.043259 Da
  • ChemSpider ID32770163

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-on [German] [ACD/IUPAC Name]
(5R)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one [ACD/IUPAC Name]
(5R)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-én-2-one [French] [ACD/IUPAC Name]
(R)-imexon
1,3-Diazabicyclo[3.1.0]hex-3-en-2-one, 4-amino-, (5R)- [ACD/Index Name]
1018810-25-7 [RN]
K17689U6R6
261-838-2 [EINECS]
59643-91-3 [RN]
Imexon [INN] [USAN] [Wiki]
More...

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

Density: 2.3±0.1 g/cm3
Boiling Point: 231.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 93.9±22.6 °C
Index of Refraction: 2.069
Molar Refractivity: 25.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 59 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 130.4±7.0 dyne/cm
Molar Volume: 49.1±7.0 cm3

Click to predict properties on the Chemicalize site


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