| CAS Number | 935542-80-6 |
| Catalog Number | AG01ABTB |
| Chemical Name | 6-(Propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| IUPAC Name | 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H |
| InChI Key | GTQSHTVRCNEHFW-UHFFFAOYSA-N |
| MDL Number | MFCD26407730 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | Cl.CC(C1=CC2=C(CNCC2)C=C1)C |
| Synonyms | 6-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride,
935542-80-6,
SCHEMBL1265678,
NE55730,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number