3-Isoquinolinecarboxylic acid, 4-methyl-1-(1-piperidinyl)-, methyl ester

Base Information

• Chemical Name: 3-Isoquinolinecarboxylic acid, 4-methyl-1-(1-piperidinyl)-, methyl ester
• CAS No.: 89928-80-3
• Molecular Formula: C17H20 N2 O2
• Molecular Weight: 284.3529
• DSSTox Substance ID: DTXSID40237939
• Wikidata: Q83120209

Synonyms:89928-80-3;Methyl 4-methyl-1-(1-piperidinyl)-3-isoquinolinecarboxylate;3-Isoquinolinecarboxylic acid, 4-methyl-1-(1-piperidinyl)-, methyl ester;4-methyl-1-(1-piperidinyl)-3-isoquinolinecarboxylic acid methyl ester;DTXSID40237939;LS-85452

Chemical Property of 3-Isoquinolinecarboxylic acid, 4-methyl-1-(1-piperidinyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.46E-09mmHg at 25°C
• Boiling Point: 485.1°Cat760mmHg
• Flash Point: 247.2°C
• Density: 1.169g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.152477885
• Heavy Atom Count: 21
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(C2=CC=CC=C12)N3CCCCC3)C(=O)OC

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