2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester

Base Information

• Chemical Name: 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester
• CAS No.: 80487-53-2
• Molecular Formula: C10H13NO2
• DSSTox Substance ID: DTXSID80415850
• Wikidata: Q82224885
• Mol file: 80487-53-2.mol

Synonyms:2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester;80487-53-2;DTXSID80415850;InChI=1/C10H13NO2/c1-4-11(5-2)9-7-6-8-10(12)13-3/h4-5H2,1-3H

Chemical Property of 2,4-Pentadiynoic acid, 5-(diethylamino)-, methyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C#CC#CC(=O)OC