| CAS Number | 935534-31-9 |
| Catalog Number | AG00H0V3(AGN-PC-0WAKKO) |
| Chemical Name | tert-butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 7-amino-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-6-5-10-8-13(19-4)12(16)7-11(10)9-17/h7-8H,5-6,9,16H2,1-4H3 |
| InChI Key | VAANHXPGGUAFIN-UHFFFAOYSA-N |
| MDL Number | MFCD09261217 |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.3468 |
| SMILES | NC1=C(C=C2CCN(CC2=C1)C(=O)OC(C)(C)C)OC |
| Synonyms | 935534-31-9,
tert-butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate,
tert-Butyl 7-amino-6-methoxy-3,4-dihydro-isoquinoline-2(1H)-carboxylate,
SCHEMBL15754967,
DTXSID80701745,
VAANHXPGGUAFIN-UHFFFAOYSA-N,
ZINC96179478,
AKOS022193568,
KS-0000244K,
tert-butyl 7-amino-6-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
CS-4019,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.352g/mol |
| Monoisotopic Mass | 278.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number