| CAS Number | 1265964-21-3 |
| Catalog Number | AG01AGMJ |
| Chemical Name | 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-9(12(14)15)13-7-6-10-4-2-3-5-11(10)8-13;/h2-5,9H,6-8H2,1H3,(H,14,15);1H |
| InChI Key | GIZUTJUBHLPALJ-UHFFFAOYSA-N |
| MDL Number | MFCD26959577 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.CC(C(O)=O)N1CC2=C(C=CC=C2)CC1 |
| Synonyms | 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride,
1265964-21-3,
AC1Q399A,
AKOS005063223,
MCULE-2673953272,
NE31396,
BB 0243027,
EN300-72260,
Z1184858184,
2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid; hydrochloride,
938350-35-7,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number