| CAS Number | 953898-10-7 |
| Catalog Number | AG019UP8 |
| Chemical Name | 3,3-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-amine |
| IUPAC Name | 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-amine |
| InChI | InChI=1S/C15H24N2/c1-15(2,3)14(16)11-17-9-8-12-6-4-5-7-13(12)10-17/h4-7,14H,8-11,16H2,1-3H3 |
| InChI Key | CVAAGXPJOVJPNL-UHFFFAOYSA-N |
| MDL Number | MFCD09736039 |
| Molecular Formula | C15H24N2 |
| Molecular Weight | 232.3645 |
| SMILES | CC(C(CN1CC2=C(C=CC=C2)CC1)N)(C)C |
| Synonyms | 3,3-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-amine,
953898-10-7,
AC1Q1LRF,
CTK7D4200,
AKOS009139063,
MCULE-5797887332,
NE42220,
EN300-42395,
AB00998602-01,
Z432066852,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.371g/mol |
| Monoisotopic Mass | 232.194g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number