| CAS Number | 1483029-23-7 |
| Catalog Number | AG01BERT |
| Chemical Name | 5-(3-methylpiperazin-1-yl)isoquinoline |
| IUPAC Name | 5-(3-methylpiperazin-1-yl)isoquinoline |
| InChI | InChI=1S/C14H17N3/c1-11-10-17(8-7-16-11)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3 |
| InChI Key | CRWCGRCOXPDTBA-UHFFFAOYSA-N |
| MDL Number | MFCD17147804 |
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.3049 |
| SMILES | CC1NCCN(C2=C3C(C=NC=C3)=CC=C2)C1 |
| Synonyms | 5-(3-methylpiperazin-1-yl)isoquinoline,
1483029-23-7,
SCHEMBL14146963,
AKOS012107567,
NE37155,
Z1889909704,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.311g/mol |
| Monoisotopic Mass | 227.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number