| CAS Number | 155413-72-2 |
| Catalog Number | AG01A3AQ(AGN-PC-0HKKVC) |
| Chemical Name | 1-Benzyl-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| IUPAC Name | 1-benzyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C16H17N.ClH/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;/h1-9,16-17H,10-12H2;1H |
| InChI Key | NWSISAGBOKRDJJ-UHFFFAOYSA-N |
| MDL Number | MFCD02113307 |
| Molecular Formula | C16H18ClN |
| Molecular Weight | 259.7738 |
| SMILES | Cl.C(C1=CC=CC=C1)C1C2=C(C=CC=C2)CCN1 |
| Synonyms | 1-benzyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,
155413-72-2,
SCHEMBL8823234,
AKOS026681284,
NE26813,
F2135-1187,
Isoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-, hydrochloride,
19716-56-4,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.777g/mol |
| Monoisotopic Mass | 259.113g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number