12-Hydroxylysergic acid diethylamide

Base Information

• Chemical Name: 12-Hydroxylysergic acid diethylamide
• CAS No.: 60573-89-9
• Molecular Formula: C20H25N3O2
• Molecular Weight: 339.4314
• DSSTox Substance ID: DTXSID00209374
• Nikkaji Number: J71.364C
• Mol file: 60573-89-9.mol

Synonyms:12-Hydroxylysergic acid diethylamide;60573-89-9;Ergoline-8-beta-carboxamide, 9,10-didehydro-N,N-diethyl-12-hydroxy-6-methyl-;9,10-Didehydro-N,N-diethyl-6-methyl-12-hydroxyergoline-8-beta-carboxamide;SCHEMBL10980531;DTXSID00209374;LS-64349;Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-12-hydroxy-6-methyl-, (8.beta.)-

Chemical Property of 12-Hydroxylysergic acid diethylamide

Chemical Property:

• Vapor Pressure: 7.17E-14mmHg at 25°C
• Boiling Point: 576.1°Cat760mmHg
• Flash Point: 302.2°C
• PSA: 59.57000
• Density: 1.29g/cm³
• LogP: 2.54950
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 339.19467705
• Heavy Atom Count: 25
• Complexity: 559

Purity/Quality:

99% ^*data from raw suppliers

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

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