Cyclohexylethanoyl-N-Hydroxyethylglucamide

Catalog	DGS603111757
CAS	603111-75-7
Synonyms	C-HEGA-8
IUPAC Name	2-cyclohexyl-N-[2-(2-hydroxyethylamino)acetyl]acetamide
Molecular Weight	349.42
Molecular Formula	C16H31NO7
InChI	InChI=1S/C12H22N2O3/c15-7-6-13-9-12(17)14-11(16)8-10-4-2-1-3-5-10/h10,13,15H,1-9H2,(H,14,16,17)
InChI Key	KJQMSIKDNXUVQD-UHFFFAOYSA-N
Boiling Point	668.1±55.0 °C (Predicted)
Purity	≥95%
Density	1.308±0.06 g/cm³ (Predicted)
Solubility	≥20% (in water at 20 °C)
Complexity	250
Conductance	<100 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 277 mM (9.7%)
Exact Mass	242.16304257
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isomeric SMILES	C1CCC(CC1)CC(=O)NC(=O)CNCCO
Monoisotopic Mass	242.16304257
pH	5-8 (1% solution in water)
pKa	13.43±0.20 (Predicted)
Rotatable Bond Count	6
Topological Polar Surface Area	78.4 Ų
XLogP3-AA	0.9