Lysergol

C₁₆H₁₈N₂OCAS 602-85-7254.33 g/mol

Open in Covalent MOL file

Alcohol Alkene Tertiary amine

Properties

Molecular formula: C₁₆H₁₈N₂O
Molar mass: 254.33 g/mol
Exact mass: 254.1419 Da
Melting point: 253–255 °C
logP: 2.03Crippen estimate
Polar surface area: 39.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed97.6% of notifiers
H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

602-85-7

SMILES

CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21

InChIKey

BIXJFIJYBLJTMK-MEBBXXQBSA-N

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/t10-,15-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8β)-
Ergoline-8β-methanol, 9,10-didehydro-6-methyl-
Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.
(8β)-9,10-Didehydro-6-methylergoline-8-methanol
NSC 196867
(+)-Lysergol

Work with Lysergol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Lysergic acid diethylamide50-37-361 % similar Methergine57432-61-858 % similar Ergotamine tartrate379-79-338 % similar Rg10848208-26-033 % similar L-Tryptophanol2899-29-832 % similar D-Tryptophanol52485-52-632 % similar 4-Fluorotryptophan25631-05-431 % similar N,N-Diisopropyl-4-hydroxytryptamine132328-45-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook