| CAS Number | 20335-61-9 |
| Catalog Number | AG0028UW(AGN-PC-0MWUT7) |
| Chemical Name | 5-Isoquinolinamine, 1-methyl- |
| IUPAC Name | 1-methylisoquinolin-5-amine |
| InChI | InChI=1S/C10H10N2/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h2-6H,11H2,1H3 |
| InChI Key | KBDMNBWTHOKXQA-UHFFFAOYSA-N |
| MDL Number | MFCD18260474 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | Nc1cccc2c1ccnc2C |
| Synonyms | 1-methylisoquinolin-5-amine,
5-Isoquinolinamine, 1-methyl-,
20335-61-9,
5-amino-1-methylisoquinoline,
1-methyl-5-isoquinolinamine,
1-methyl-5-aminoisoquinoline,
SCHEMBL564739,
CTK0J0559,
DTXSID40433691,
KBDMNBWTHOKXQA-UHFFFAOYSA-N,
ZINC34060537,
AKOS022186688,
AJ-86702,
AS-44084,
Z2832013717,
CID9989490,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number