| CAS Number | 174302-46-6 |
| Catalog Number | AG00AE04(AGN-PC-0WAZZS) |
| Chemical Name | 1(2H)-Isoquinolinone,7-amino-(9CI) |
| IUPAC Name | 7-amino-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H8N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,10H2,(H,11,12) |
| InChI Key | YLYZPUIUNDCIRG-UHFFFAOYSA-N |
| MDL Number | MFCD18833673 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | O=C1NC=CC2=C1C=C(N)C=C2 |
| Synonyms | 7-amino-1(2H)-Isoquinolinone,
174302-46-6,
7-aminoisoquinolin-1(2H)-one,
7-Aminoisoquinolin-1-ol,
1(2H)-Isoquinolinone, 7-amino-,
SCHEMBL3004117,
DTXSID20573887,
YLYZPUIUNDCIRG-UHFFFAOYSA-N,
MFCD18833673,
VT1097,
ZINC34580013,
AKOS030246160,
7-amino-1,2-dihydroisoquinolin-1-one,
GS-5995,
1(2H)-Isoquinolinone,7-amino-(9CI),
KS-0000266N,
AS-54745,
C3220,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number