| CAS Number | 1423034-30-3 |
| Catalog Number | AG01A2MS |
| Chemical Name | 1-benzyl-1,2,3,4-tetrahydroisoquinoline; sulfuric acid |
| IUPAC Name | 1-benzyl-1,2,3,4-tetrahydroisoquinoline;sulfuric acid |
| InChI | InChI=1S/C16H17N.H2O4S/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;1-5(2,3)4/h1-9,16-17H,10-12H2;(H2,1,2,3,4) |
| InChI Key | LUFRTTSGDKBEGY-UHFFFAOYSA-N |
| MDL Number | MFCD22578658 |
| Molecular Formula | C16H19NO4S |
| Molecular Weight | 321.3914 |
| SMILES | OS(O)(=O)=O.C(C1=CC=CC=C1)C1C2=C(C=CC=C2)CCN1 |
| Synonyms | 1-benzyl-1,2,3,4-tetrahydroisoquinoline; sulfuric acid,
1423034-30-3,
1-benzyl-1,2,3,4-tetrahydroisoquinoline, sulfuric acid,
MCULE-4815925181,
NE34466,
Z1431781206,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.391g/mol |
| Monoisotopic Mass | 321.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number