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

(S)-imexon

  • Molecular FormulaC4H5N3O
  • Average mass111.102 Da
  • Monoisotopic mass111.043259 Da
  • ChemSpider ID21178867

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-on [German] [ACD/IUPAC Name]
(5S)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one [ACD/IUPAC Name]
(5S)-4-Amino-1,3-diazabicyclo[3.1.0]hex-3-én-2-one [French] [ACD/IUPAC Name]
(5S)-4-Imino-1,3-diazabicyclo[3.1.0]hex-2-en-2-ol [German] [ACD/IUPAC Name]
(5S)-4-Imino-1,3-diazabicyclo[3.1.0]hex-2-en-2-ol [ACD/IUPAC Name]
(5S)-4-Imino-1,3-diazabicyclo[3.1.0]hex-2-én-2-ol [French] [ACD/IUPAC Name]
(S)-imexon
1,3-Diazabicyclo[3.1.0]hex-2-en-2-ol, 4-imino-, (5S)- [ACD/Index Name]
1,3-Diazabicyclo[3.1.0]hex-3-en-2-one, 4-amino-, (5S)- [ACD/Index Name]
1018810-26-8 [RN]
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: 210.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.0±6.0 kJ/mol
Flash Point: 81.1±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: -1.91
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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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