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(+)-Lysergic Acid Diethylamide
CAS: 50-37-3 | C20H25N3O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
50-37-3
Molecular Formula:
C20H25N3O
Molecular Mass:
323.44 g/mol
Names and Synonyms:
(+)-Lysergic Acid Diethylamide
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-methyl-, (8β)-
Ergoline-8β-carboxamide, 9,10-didehydro-N,N-diethyl-6-methyl-
Lysergamide, N,N-diethyl-, D-
Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.
(8β)-9,10-Didehydro-N,N-diethyl-6-methylergoline-8-carboxamide
LSD 25
Delysid
N,N-Diethyllysergamide
LSD (alkaloid)
Lysergic acid diethylamide
Lysergide
D-LSD
(+)-LSD
Dextrolysergic acid diethylamide
D-Lysergic acid diethylamide
N,N-Diethyl-(+)-lysergamide
D-Lysergic acid N,N-diethylamide
9,10-Didehydro-N,N-diethyl-6-methylergoline-8β-carboxamide
N,N-Diethyl-D-lysergamide
D-LSD-25
LSD
(+)-Lysergic acid diethylamide
d-LSD
d-Lysergic acid diethylamide
Identifiers:
SMILES:
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChI:
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
Key Properties
Melting Point
80-85 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.44 g/mol | CAS Common Chemistry |
| 323.4400000000001 g/mol | RDKit | |
| 323.19976242 g/mol | RDKit | |
| Canonical SMILES | O=C(N(CC)CC)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VAYOSLLFUXYJDT-RDTXWAMCSA-N | CAS Common Chemistry |
| Melting Point | 80-85 °C | CAS Common Chemistry |
| Name | (+)-Lysergic acid diethylamide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.34 Ų | RDKit |
| LogP | 2.9060000000000015 | RDKit |
| Molar Refractivity | 97.81570000000005 | RDKit |
