12-Methoxylysergic acid diethylamide

Base Information

• Chemical Name: 12-Methoxylysergic acid diethylamide
• CAS No.: 50484-99-6
• Molecular Formula: C21H27N3O2
• Molecular Weight: 353.458
• DSSTox Substance ID: DTXSID30198505
• Nikkaji Number: J71.365A
• Wikidata: Q76150474
• Mol file: 50484-99-6.mol

Synonyms:12-Methoxylysergic acid diethylamide;Ergoline-8-beta-carboxamide, 9,10-didehydro-N,N-diethyl-12-methoxy-6-methyl-;9,10-Didehydro-N,N-diethyl-6-methyl-12-methoxyergoline-8-beta-carboxamide;50484-99-6;DTXSID30198505;LS-64350;Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-12-methoxy-6-methyl-, (8.beta.)-

Chemical Property of 12-Methoxylysergic acid diethylamide

Chemical Property:

• Vapor Pressure: 3.02E-13mmHg at 25°C
• Boiling Point: 575.5°Cat760mmHg
• Flash Point: 301.9°C
• Density: 1.22g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 353.21032711
• Heavy Atom Count: 26
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1CN(C2CC3=CNC4=C3C(=C(C=C4)OC)C2=C1)C
• Isomeric SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=C3C(=C(C=C4)OC)C2=C1)C