3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-

Base Information

• Chemical Name: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-
• CAS No.: 112392-91-3
• Molecular Formula: C22H22 N2 O3
• Molecular Weight: 362.4217
• DSSTox Substance ID: DTXSID40150018
• Wikidata: Q83015920
• Mol file: 112392-91-3.mol

Synonyms:112392-91-3;3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-;1-Oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-1,2-dihydro-3-isoquinolinecarboxylic acid;1-Oxo-4-phenyl-2-(2-(pyrrolidin-1-yl)ethyl)-1,2-dihydroisoquinoline-3-carboxylic acid;DTXSID40150018;LS-85448

Chemical Property of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-

Chemical Property:

• Vapor Pressure: 2.98E-12mmHg at 25°C
• Boiling Point: 534.4°Cat760mmHg
• Flash Point: 277°C
• Density: 1.281g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 362.16304257
• Heavy Atom Count: 27
• Complexity: 603

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O