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Search term: 27025497 (Found by CSID)
ChemSpider 2D Image | pre-aurantiamine | C11H14N4O2

pre-aurantiamine

  • Molecular FormulaC11H14N4O2
  • Average mass234.255 Da
  • Monoisotopic mass234.111679 Da
  • ChemSpider ID27025497

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3Z,6S)-3-(1H-Imidazol-4-ylmethylen)-6-isopropyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z,6S)-3-(1H-Imidazol-4-ylmethylene)-6-isopropyl-2,5-piperazinedione [ACD/IUPAC Name]
(3Z,6S)-3-(1H-Imidazol-4-ylméthylène)-6-isopropyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-(1H-imidazol-4-ylmethylene)-6-(1-methylethyl)-, (3Z,6S)- [ACD/Index Name]
pre-aurantiamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.95
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.71
Polar Surface Area: 87 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 183.0±3.0 cm3

Click to predict properties on the Chemicalize site


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