| CAS Number | 368426-88-4 |
| Catalog Number | AG0077WA(AGN-PC-0WCYC1) |
| Chemical Name | tert-Butyl ((3-aminobenzo[d]isoxazol-5-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(3-amino-1,2-benzoxazol-5-yl)methyl]carbamate |
| InChI | InChI=1S/C13H17N3O3/c1-13(2,3)18-12(17)15-7-8-4-5-10-9(6-8)11(14)16-19-10/h4-6H,7H2,1-3H3,(H2,14,16)(H,15,17) |
| InChI Key | ZCIZHSBBBSRKEE-UHFFFAOYSA-N |
| MDL Number | MFCD11616073 |
| Molecular Formula | C13H17N3O3 |
| Molecular Weight | 263.2924 |
| SMILES | CC(C)(C)OC(=O)NCc1ccc2onc(N)c2c1 |
| Synonyms | 368426-88-4,
tert-Butyl ((3-aminobenzo[d]isoxazol-5-yl)methyl)carbamate,
TERT-BUTYL (3-AMINOBENZO[D]ISOXAZOL-5-YL)METHYLCARBAMATE,
CTK4H7244,
DTXSID80634923,
KS-00001B2R,
MFCD11616073,
AKOS027255661,
ZINC105640476,
AX8275039,
CS-0036096,
t-Butyl (3-aminobenzo[d]isoxazol-5-yl)methylcarbamate,
tert-Butyl [(3-amino-1,2-benzoxazol-5-yl)methyl]carbamate,
tert-Butyl methylcarbamate,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.297g/mol |
| Monoisotopic Mass | 263.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number