4-Quinolinecarboxylic acid, 1,2-dihydro-N-(3-methylbutyl)-2-oxo-

Base Information

• Chemical Name: 4-Quinolinecarboxylic acid, 1,2-dihydro-N-(3-methylbutyl)-2-oxo-
• CAS No.: 171204-21-0
• Molecular Formula: C15H18N2O2
• Molecular Weight: 258.3156
• DSSTox Substance ID: DTXSID10169031
• Wikidata: Q83038673
• Mol file: 171204-21-0.mol

Synonyms:171204-21-0;4-Quinolinecarboxylic acid, 1,2-dihydro-N-(3-methylbutyl)-2-oxo-;N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide;1,2-Dihydro-N-(3-methylbutyl)-2-oxo-4-quinolinecarboxylic acid;DTXSID10169031;AKOS007999283;LS-141616;EU-0064212;Z32002818

Chemical Property of 4-Quinolinecarboxylic acid, 1,2-dihydro-N-(3-methylbutyl)-2-oxo-

Chemical Property:

• Vapor Pressure: 1.13E-10mmHg at 25°C
• Boiling Point: 513.9°Cat760mmHg
• PKA: 10.96±0.70(Predicted)
• Flash Point: 204.2°C
• PSA: 65.71000
• Density: 1.14g/cm³
• LogP: 3.29110
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 258.136827821
• Heavy Atom Count: 19
• Complexity: 388

Purity/Quality:

1-(3-METHYLBUTYL)-2-OXO-1,2-DIHYDROQUINOLINE-4-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCNC(=O)C1=CC(=O)NC2=CC=CC=C21