| CAS Number | 1315368-21-8 |
| Catalog Number | AG01AJFG |
| Chemical Name | 4-(1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| IUPAC Name | 4-pyrazol-1-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C12H13N3.ClH/c1-2-5-11-10(4-1)8-13-9-12(11)15-7-3-6-14-15;/h1-7,12-13H,8-9H2;1H |
| InChI Key | BNYZUMKHXIRSNT-UHFFFAOYSA-N |
| MDL Number | MFCD19382268 |
| Molecular Formula | C12H14ClN3 |
| Molecular Weight | 235.7127 |
| SMILES | Cl.C1C(N2N=CC=C2)C2=C(C=CC=C2)CN1 |
| Synonyms | 4-(1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride,
1315368-21-8,
NE56363,
EN300-80596,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.715g/mol |
| Monoisotopic Mass | 235.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number