英文别名 | 1230487-85-0;β-?[[[4,?5-Dihydro-?5-?[2-?(1H-?imidazol-?2-?ylamino)?ethyl]?-?3-?isoxazolyl]?carbonyl]?amino]?-?3,?4-?dihydro-?γ-?oxo-2(1H)?-?Isoquinolinebutanoic Acid |
CAS号 | 1230487-85-0 |
SMILES | CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C |
Inchi | InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ |
InchiKey | KIHYPELVXPAIDH-HNSNBQBZSA-N |
分子式 Formula | C29H35F3N2O3 |
分子量 Molecular Weight | 516.595 |
闪点 FP | 317.9±34.3 ℃ |
沸点 Boiling point | 602.0±65.0 ℃ at 760 mmHg |
Polarizability极化度 | 53.9±0.5 10-24cm3 |
密度 Density | 1.2±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±1.8 mmHg at 25℃ |
储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |