| CAS Number | 1213144-78-5 |
| Catalog Number | AG01DV2P |
| Chemical Name | (1S)-1-(isoquinolin-5-yl)ethan-1-amine |
| IUPAC Name | (1S)-1-isoquinolin-5-ylethanamine |
| InChI | InChI=1S/C11H12N2/c1-8(12)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,12H2,1H3/t8-/m0/s1 |
| InChI Key | QPDOKFBCSKHSEX-QMMMGPOBSA-N |
| MDL Number | MFCD09829410 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | C1=NC=CC2=C(C=CC=C12)[C@H](C)N |
| Synonyms | ZINC20418142,
(1S)-1-(5-ISOQUINOLYL)ETHYLAMINE,
(1S)-1-(isoquinolin-5-yl)ethan-1-amine,
(1S)-1-(5-isoquinolyl)ethylamine, AldrichCPR,
1213144-78-5,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number