| CAS Number | 1540071-42-8 |
| Catalog Number | AG01AFTA |
| Chemical Name | tert-Butyl (1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate |
| IUPAC Name | tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate |
| InChI | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-6-4-5-10-7-8-15-9-11(10)12/h4-6,15H,7-9H2,1-3H3,(H,16,17) |
| InChI Key | ZURNMIXARKIACI-UHFFFAOYSA-N |
| MDL Number | MFCD23897874 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | CC(OC(NC1=C2C(CCNC2)=CC=C1)=O)(C)C |
| Synonyms | (7-Fluoro-1H-indol-4-yl)boronic acid,
tert-Butyl (1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate,
1540071-42-8,
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate,
ZINC87521311,
AKOS018995210,
N/A,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number