| CAS Number | 72678-02-5 |
| Catalog Number | AG00FVSS(AGN-PC-01XQCO) |
| Chemical Name | 1-Methoxyisoquinolin-5-amine |
| IUPAC Name | 1-methoxyisoquinolin-5-amine |
| InChI | InChI=1S/C10H10N2O/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,11H2,1H3 |
| InChI Key | WMABIBWLZLPHKF-UHFFFAOYSA-N |
| MDL Number | MFCD11848605 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | COC1=C2C(C(=CC=C2)N)=CC=N1 |
| Synonyms | 1-METHOXYISOQUINOLIN-5-AMINE,
72678-02-5,
5-Isoquinolinamine, 1-methoxy-,
SCHEMBL7253830,
ZINC95628736,
AKOS024056498,
SC-36173,
ST2408752,
Z2255110188,
1-Chloro-5-nitroisoquinoline,
58142-97-5,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number