Methyl 1-methylisoquinoline-3-carboxylate

Base Information

• Chemical Name: Methyl 1-methylisoquinoline-3-carboxylate
• CAS No.: 94726-23-5
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• DSSTox Substance ID: DTXSID20524399
• Nikkaji Number: J1.992.820I
• Wikidata: Q82391237

Synonyms:94726-23-5;Methyl 1-methylisoquinoline-3-carboxylate;SCHEMBL10066660;DTXSID20524399

Chemical Property of Methyl 1-methylisoquinoline-3-carboxylate

Chemical Property:

• Melting Point: 104-105 °C
• Boiling Point: 354.0±22.0 °C(Predicted)
• PSA: 39.19000
• Density: 1.177±0.06 g/cm3(Predicted)
• LogP: 2.32980
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC2=CC=CC=C12)C(=O)OC

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