| CAS Number | 912846-57-2 |
| Catalog Number | AG01B9F1 |
| Chemical Name | tert-Butyl 6-Amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate |
| IUPAC Name | tert-butyl 6-amino-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-7-6-10-9(8-17)4-5-11(16)12(10)15/h4-5H,6-8,16H2,1-3H3 |
| InChI Key | YKXRKPVVUCTORJ-UHFFFAOYSA-N |
| MDL Number | MFCD24470375 |
| Molecular Formula | C14H19FN2O2 |
| Molecular Weight | 266.3113 |
| SMILES | NC=1C(=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)F |
| Synonyms | tert-butyl 6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
912846-57-2,
SCHEMBL4165540,
YKXRKPVVUCTORJ-UHFFFAOYSA-N,
AKOS033734944,
ZINC142998779,
Z2017679177,
1,1-Dimethylethyl 6-amino-5-fluoro-3,4-dihydro-2(1H)-isoquinolinecarboxylate,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.316g/mol |
| Monoisotopic Mass | 266.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number