English name: LYSERGOL
CAS number: 602-85-7
Molecular formula: C16H18N2O
Molecular weight: 254.33
EINECS number: 210-024-5
MDL No. : MFCD00010029
Stats
Melting point 248°C
Boiling point 397.54°C (rough estimate)
Density 1.0398 (rough estimate)
Refractive index 1.6240 (estimate)
Store at -20°C
Solubility DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
Form Solid
Acidity coefficient (pKa)14.61±0.10(Predicted)
The color is Pale Brown to Light Brown
InChIInChI = 1 / C16H18N2O/c1-18-8-10 (9-19) 18-8-10-3-2-4-14-16 (12), 11 (7-17-14), 6-15 (13) 18,7,10,15,17,19 H/h2-5, 6, 8-9 h2, h3 / t10-1 ,15-/s3
InChIKeyBIXJFIJYBLJTMK-HFQWXNFCNA-N
SMILESCN1C @ H [C] (CO) C = C2C3 = CC = CC4NC = C (C3 = 4) C/C @ @ 12 [H] | & 1:3, 18, r |
LogP1.760 (est)