Methyl 5-aminoisoquinoline-8-carboxylate

Base Information

• Chemical Name: Methyl 5-aminoisoquinoline-8-carboxylate
• CAS No.: 157252-29-4
• Molecular Formula: C11H10 N2 O2
• Molecular Weight: 202.21
• European Community (EC) Number: 873-612-6
• Nikkaji Number: J832.575H
• Mol file: 157252-29-4.mol

Synonyms:Methyl 5-aminoisoquinoline-8-carboxylate;157252-29-4;8-Isoquinolinecarboxylicacid,5-amino-,methylester(9CI);Methyl 5-amino-8-isoquinolinecarboxylate;SCHEMBL14589053;EN300-749595;Z1509405440

Chemical Property of Methyl 5-aminoisoquinoline-8-carboxylate

Chemical Property:

• Boiling Point: 432.8±30.0 °C(Predicted)
• PKA: 4.74±0.36(Predicted)
• PSA: 65.21000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: 2.18480
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

Methyl5-aminoisoquinoline-8-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C2C=NC=CC2=C(C=C1)N