N-(4-(cyanomethyl)phenyl)-2-isopropyl-5,5dimethylcyclohexanecarboxamide

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IUPAC Name :(1S,2R)-N-[4-(cyanomethyl)phenyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
InChI :InChI=1/C20H28N2O/c1-14(2)17-9-11-20(3,4)13-18(17)19(23)22-16-7-5-15(6-8-16)10-12-21/h5-8,14,17-18H,9-11,13H2,1-4H3,(H,22,23)/t17-,18+/m1/s1
Std.InChI: InChI=1S/C20H28N2O/c1-14(2)17-9-11-20(3,4)13-18(17)19(23)22-16-7-5-15(6-8-16)10-12-21/h5-8,14,17-18H,9-11,13H2,1-4H3,(H,22,23)/t17-,18+/m1/s1
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InChIKey :YEMXMTNNIQKZHP-MSOLQXFVBR
Std.InChIKey: YEMXMTNNIQKZHP-MSOLQXFVSA-N
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SMILES :CC(C)[C@H]1CCC(C[C@@H]1C(=O)NC2=CC=C(C=C2)CC#N)(C)C
Molar Refractivity :94.07 ± 0.3 cm3 (est)
Parachor :766.2 ± 6.0 cm3 (est)
Index of Refraction :1.535 ± 0.02 (est)
Surface Tension :41.5 ± 3.0 dyne/cm (est)
Density :1.035 ± 0.06 g/cm3 (est)
Polarizability :37.29 ± 0.5 10-24cm3 (est)