| CAS Number | 46000-11-7 |
| Catalog Number | AG00DZ93(AGN-PC-0RU9NV) |
| Chemical Name | 1-Isoquinolinamine,N-methyl-(9CI) |
| IUPAC Name | N-methylisoquinolin-1-amine |
| InChI | InChI=1S/C10H10N2/c1-11-10-9-5-3-2-4-8(9)6-7-12-10/h2-7H,1H3,(H,11,12) |
| InChI Key | BILUZSWZYDFPMN-UHFFFAOYSA-N |
| MDL Number | MFCD18810621 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | CNC1=NC=CC2=C1C=CC=C2 |
| Synonyms | N-methylisoquinolin-1-amine,
46000-11-7,
N-Methylisoquinoline-1-amine,
SCHEMBL4479184,
BILUZSWZYDFPMN-UHFFFAOYSA-N,
1-Isoquinolinamine,N-methyl-(9CI),
ISOQUINOLIN-1-YL-METHYLAMINE,
MFCD18810621,
AKOS017413460,
AS-48593,
J3.524.486G,
1-Isoquinolinamine, N-methyl- (9CI),
|
| Complexity | 147 |
| 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 | 1 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number