7-aminoisoquinolin-1(2H)-one

Base Information

• Chemical Name: 7-aminoisoquinolin-1(2H)-one
• CAS No.: 174302-46-6
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.17262
• Hs Code.: 2933990090
• European Community (EC) Number: 835-987-4
• DSSTox Substance ID: DTXSID20573887
• Wikidata: Q82462736
• Mol file: 174302-46-6.mol

Synonyms:174302-46-6;7-aminoisoquinolin-1(2H)-one;7-amino-1(2H)-Isoquinolinone;1(2H)-Isoquinolinone,7-amino-(9CI);7-amino-2H-isoquinolin-1-one;7-Aminoisoquinolin-1-ol;VT1097;SCHEMBL3004117;DTXSID20573887;YLYZPUIUNDCIRG-UHFFFAOYSA-N;AMY25902;MFCD18833673;ZB0565;AKOS030246160;7-amino-1,2-dihydroisoquinolin-1-one;GS-5995;AS-54745;CS-0095974;EN300-255075

Chemical Property of 7-aminoisoquinolin-1(2H)-one

Chemical Property:

• Boiling Point: 486.2±45.0 °C(Predicted)
• PKA: 13.13±0.20(Predicted)
• PSA: 59.14000
• Density: 1.287±0.06 g/cm3(Predicted)
• LogP: 2.10380
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

NLT 98% ^*data from raw suppliers

7-Aminoisoquinolin-1(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CNC2=O)N