Chemical Properties of Lysergol (CAS 602-85-7)

InChI

InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3

InChI Key

BIXJFIJYBLJTMK-UHFFFAOYSA-N

Formula

C16H18N2O

SMILES

CN1CC(CO)C=C2c3cccc4[nH]cc(c34)CC21

Molecular Weight¹

254.33

CAS

602-85-7

Other Names

• Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8«beta»)-
• Ergoline-8«beta»-methanol, 9,10-didehydro-6-methyl-
• Ergoline, 9,10-didehydro-8-hydroxymethyl-6-methyl-
• Lysergole
• LOL
• 9,10-Didehydro-6-methyl-8-hydroxymethylergoline, (8«beta»)-
• Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.
• (6-Methyl-9,10-didehydroergolin-8-yl)methanol-, (8«beta»)-
• NSC 196867
• 9,10-didehydro-6-methylergoline-8«beta»-methanol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	1.548		Crippen Calculated Property
McVol	197.190	ml/mol	McGowan Calculated Property
Inp	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST

Similar Compounds

Find more compounds similar to Lysergol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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