| CAS Number | 1170042-02-0 |
| Catalog Number | AG019LMS |
| Chemical Name | 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-amine hydrochloride |
| IUPAC Name | 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C14H22N2.ClH/c1-11(2)14(9-15)16-8-7-12-5-3-4-6-13(12)10-16;/h3-6,11,14H,7-10,15H2,1-2H3;1H |
| InChI Key | RSUFKLGLKVDVGI-UHFFFAOYSA-N |
| MDL Number | MFCD09971561 |
| Molecular Formula | C14H23ClN2 |
| Molecular Weight | 254.7988 |
| SMILES | Cl.CC(C(N1CC2=C(C=CC=C2)CC1)CN)C |
| Synonyms | 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-amine hydrochloride,
1170042-02-0,
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methylbutan-1-amine hydrochloride,
AC1Q390N,
CTK7E3564,
MCULE-8867772435,
NE43415,
EN300-31807,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.802g/mol |
| Monoisotopic Mass | 254.155g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number