| 中文别名 | Entacapone(cas:130929-57-6) |
| 英文别名 | Entacapone,130929-57-6 |
| CAS号 | 130929-57-6 |
| SMILES | O=C(N(CC)CC)/C(C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1 |
| Inchi | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ |
| InchiKey | JRURYQJSLYLRLN-BJMVGYQFSA-N |
| 分子式 Formula | C14H15N3O5 |
| 分子量 Molecular Weight | 305.29 |
| 闪点 FP | 272.3±30.1 ℃ |
| 沸点 Boiling point | 526.6±50.0 ℃ at 760 mmHg |
| Polarizability极化度 | 31.4±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度33.33 mg/mL(109.17 mM;Need ultrasonic)H2O : 2 mg/mL(6.55 mM;ultrasonic and adjust pH to 10 with NaOH) |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 4℃ 2 years年 / In solvent溶液中: -80℃ 6 months月 -20℃ 1 month月 |
m.cnreagent.com