| CAS NO: | 1269181-69-2 |
| 中文别名 | Nicodicosapent(cas:1269181-69-2) |
| 英文别名 | Nicodicosapent,1269181-69-2 |
| CAS号 | 1269181-69-2 |
| SMILES | O=C(C1=CC=CN=C1)NCCNC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O |
| Inchi | InChI=1S/C28H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(32)30-23-24-31-28(33)26-20-19-22-29-25-26/h3-4,6-7,9-10,12-13,15-16,19-20,22,25H,2,5,8,11,14,17-18,21,23-24H2,1H3,(H,30,32)(H,31,33)/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InchiKey | YYQALOWPCKMFDQ-JLNKQSITSA-N |
| 分子式 Formula | C28H39N3O2 |
| 分子量 Molecular Weight | 449.63 |
| 闪点 FP | 363.5±31.5 ℃ |
| 沸点 Boiling point | 677.5±55.0 ℃ at 760 mmHg |
| Polarizability极化度 | 55.2±0.5 10-24cm3 |
| 密度 Density | 1.0±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.1 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 100 mg/mL(222.41 mM)H2O< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | -20℃, stored under nitrogen * In solvent : -80℃, 6 months月; -20℃, 1 month月 (stored under nitrogen) |
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