| CAS Number | 1820587-05-0 |
| Catalog Number | AG00I0FB(AGN-PC-0WQZW0) |
| Chemical Name | tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate |
| IUPAC Name | tert-butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate |
| InChI | InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-8-10-6-4-5-7-11(10)12(16)15/h4-7,15H,8-9H2,1-3H3 |
| InChI Key | NMZSHHZAXJELHZ-UHFFFAOYSA-N |
| MDL Number | MFCD28101642 |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.3049 |
| SMILES | O=C(N1CCc2c(C1=N)cccc2)OC(C)(C)C |
| Synonyms | TERT-BUTYL 1-IMINO-3,4-DIHYDROISOQUINOLINE-2-CARBOXYLATE,
1820587-05-0,
ZINC169726155,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.31g/mol |
| Monoisotopic Mass | 246.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number