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Systematic name

N-(Cyclohexylcarbamoyl)alanine

SMILES

CC(C(=O)O)NC(=O)NC1CCCCC1 CopyCopied

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CSID: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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