| CAS Number | 1186195-56-1 |
| Catalog Number | AG008Y47(AGN-PC-0BLCNZ) |
| Chemical Name | BU226 HCl |
| IUPAC Name | 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline;hydrochloride |
| InChI | InChI=1S/C12H11N3.ClH/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12;/h1-4,7-8H,5-6H2,(H,13,14);1H |
| InChI Key | NIGHNKWLMSRCOZ-UHFFFAOYSA-N |
| MDL Number | MFCD09753378 |
| Molecular Formula | C12H12ClN3 |
| Molecular Weight | 233.6968 |
| SMILES | Cl.N1C(=NCC1)C=1N=CC2=CC=CC=C2C1 |
| Synonyms | BU 226 hydrochloride,
1186195-56-1,
2-(4,5-DIHYDROIMIDAZOL-2-YL)ISOQUINOLINE HYDROCHLORIDE,
CTK8F8350,
AKOS024456382,
SR-01000597929,
J-003858,
SR-01000597929-1,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.699g/mol |
| Monoisotopic Mass | 233.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number