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Systematic nameN-(Cyclohexylcarbamoyl)alanine
SMILESCC(C(=O)O)NC(=O)NC1CCCCC1 CopyCopied
Cite this recordCSID:2584497, http://www.aryannations88.com/Chemical-Structure.2584497.html (accessed 19:47, Jun 19, 2022) CopyCopied
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Density: | 1.2±0.1 g/cm3 |
Boiling Point: | 458.7±24.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±2.4 mmHg at 25°C |
Enthalpy of Vaporization: | 78.8±6.0 kJ/mol |
Flash Point: | 231.2±22.9 °C |
Index of Refraction: | 1.514 |
Molar Refractivity: | 55.3±0.4 cm3 |
#H bond acceptors: | 5 |
#H bond donors: | 3 |
#Freely Rotating Bonds: | 3 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.03 |
ACD/LogD (pH 5.5): | -1.17 |
ACD/BCF (pH 5.5): | 1.00 |
ACD/KOC (pH 5.5): | 1.00 |
ACD/LogD (pH 7.4): | -2.69 |
ACD/BCF (pH 7.4): | 1.00 |
ACD/KOC (pH 7.4): | 1.00 |
Polar Surface Area: | 78 Å2 |
Polarizability: | 21.9±0.5 10-24cm3 |
Surface Tension: | 46.9±5.0 dyne/cm |
Molar Volume: | 183.7±5.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite


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