| CAS Number | 1314406-35-3 |
| Catalog Number | AG01BC5W |
| Chemical Name | tert-Butyl (4-amino-2,2-dimethylchroman-6-yl)carbamate |
| IUPAC Name | tert-butyl N-(4-amino-2,2-dimethyl-3,4-dihydrochromen-6-yl)carbamate |
| InChI | InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-10-6-7-13-11(8-10)12(17)9-16(4,5)20-13/h6-8,12H,9,17H2,1-5H3,(H,18,19) |
| InChI Key | ZEPDWGAJKLOGKJ-UHFFFAOYSA-N |
| MDL Number | MFCD20921678 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | CC(OC(NC1=CC2=C(OC(CC2N)(C)C)C=C1)=O)(C)C |
| Synonyms | 1314406-35-3,
4-AMINO-6-(BOC-AMINO)-2,2-DIMETHYLCHROMANE,
tert-butyl N-(4-amino-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate,
tert-Butyl (4-amino-2,2-dimethylchroman-6-yl)carbamate,
MFCD20921678,
AKOS027329029,
Z2158595010,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.379g/mol |
| Monoisotopic Mass | 292.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number