| CAS Number | 1205748-90-8 |
| Catalog Number | AG01BVLA |
| Chemical Name | tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate |
| IUPAC Name | tert-butyl 8-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate |
| InChI | InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-8-11(15)5-4-10(12)9-16/h4-5,8H,6-7,9,15H2,1-3H3 |
| InChI Key | YTLWAUXRZLJQAH-UHFFFAOYSA-N |
| MDL Number | MFCD14582640 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | NC1=CC2=C(CN(CCO2)C(=O)OC(C)(C)C)C=C1 |
| Synonyms | 1205748-90-8,
tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate,
AKOS033980351,
ZINC238102234,
Z2687203972,
4-boc-8-amino-1,4-benzoxazepane,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.325g/mol |
| Monoisotopic Mass | 264.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number