1-(2-Diaethylamino-aethyl)-2-(4-aethoxy-benzyl)-benzimidazol NEW

English name: Etodesnitazene

CAS number: 14030-76-3

Molecular formula: C22H29N3O

Molecular weight: 351.49

Stats

Melting point 65-66 °C(Solv: ethyl ether (60-29-7))

Boiling point 521.5±40.0 °C(Predicted)

Density 1.06± 0.1g /cm3(Predicted)

soluble in water and methanol and partially soluble in dichloromethane.

Acidity coefficient (pKa)10.02±0.25(Predicted)

InChIInChI = 1 s/C22H29N3O/c1 24 (5 -) 2-4-15-16-25-21-10-8-21-10-8 (21) 23-22 (25) 17 to 19 (14-12-18) 14-12-18-18-11-13 / h7-14 h, 4 to 6, 15-17 h 2, 1-3 h3

InChIKeyBMLPNUNXHUGDOI-UHFFFAOYSA-N

SMILESC1(CC2=CC=C(OCC)C=C2)N(CCN(CC)CC)C2=CC=CC=C2N=1