Metonitazene
化学名:Metonitazene
CAS番号.14680-51-4
英語名:Metonitazene
CBNumberCB76197352
MFC21H26N4O3
MW382.46
MOL File14680-51-4.mol
Metonitazene物理性質
沸点 | 571.8±45.0 °C(Predicted) |
比重(密度) | 1.19±0.1 g/cm3(Predicted) |
溶解性 | DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml |
酸解離定数(Pka) | 9.90±0.25(Predicted) |
InChI | InChI=1S/C21H26N4O3/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3 |
InChIKey | HNGZTLMRQTVPBH-UHFFFAOYSA-N |
SMILES | C1(CC2=CC=C(OC)C=C2)N(CCN(CC)CC)C2=CC=C([N+]([O-])=O)C=C2N=1 |