二辛基十二烷基ipdi dioctyldodecyl IPDI
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iupac名称 IUPAC Name :2-辛基十二烷基n-[[1 2-octyldodecyl N-[[1,3,3-trimethyl-5-(2-octyldodecoxycarbonylamino)cyclohexyl]methyl]carbamate
INCHI InChI :INCHI InChI=1/C52H102N2O4/c1-8-12-16-20-24-26-30-34-37-46(36-32-28-22-18-14-10-3)42-57-49(55)53-45-52(7)41-48(40-51(5,6)44-52)54-50(56)58-43-47(38-33-29-23-19-15-11-4)39-35-31-27-25-21-17-13-9-2/h46-48H,8-45H2,1-7H3,(H,53,55)(H,54,56)
印地 Std.InChI: INCHI InChI=1S/C52H102N2O4/c1-8-12-16-20-24-26-30-34-37-46(36-32-28-22-18-14-10-3)42-57-49(55)53-45-52(7)41-48(40-51(5,6)44-52)54-50(56)58-43-47(38-33-29-23-19-15-11-4)39-35-31-27-25-21-17-13-9-2/h46-48H,8-45H2,1-7H3,(H,53,55)(H,54,56)
INCHI基 InChIKey :AWOTXJMTZAPRFT-UHFFFAOYAI
标准奇奇 Std.InChIKey: AWOTXJMTZAPRFT-UHFFFAOYSA-N
微笑 SMILES :ccccccccccc cccccccccc cccccccc cc CCcc CCcc CCcc CCcc CCC(cccccccc cc CCcc CCcc CCcc CC)coc COC(= o =O)Ncc CC1(cc CC(cc CC(C1)(C)C)数控 NC(= o =O)occ Occ CC(cccccccc cc CCcc CCcc CCcc CC)cccccccccc cccccccc cc CCcc CCcc CCcc CCcc CC)C
磨牙 Molar 折射率 Refractivity :250.02 ± 0.5 cm3 (估 est)
Parachor :2073.6 ± 8.0 cm3 (估 est)
折射率 Index of Refraction :1.492 ± 0.05
(估 est)
表面张力 Surface Tension :33.7 ± 7.0 dyne/cm (估 est)
密度 Density :0.95 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :99.11 ± 0.5 10-24cm3 (估 est)