| CAS Number | 1268334-90-2 |
| Catalog Number | AG00HRL4(AGN-PC-0WB5VU) |
| Chemical Name | tert-Butyl 6-(aminomethyl)tetrahydro-1,4-oxazepine-4(5H)-carboxylate |
| IUPAC Name | tert-butyl 6-(aminomethyl)-1,4-oxazepane-4-carboxylate |
| InChI | InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-4-5-15-8-9(6-12)7-13/h9H,4-8,12H2,1-3H3 |
| InChI Key | CRSZXGHDSAVXGB-UHFFFAOYSA-N |
| MDL Number | MFCD18447657 |
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.3040 |
| SMILES | NCC1CN(CCOC1)C(=O)OC(C)(C)C |
| Synonyms | 1268334-90-2,
TERT-BUTYL 6-(AMINOMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE,
DTXSID70692835,
ZX-CM008905,
MFCD18447657,
AKOS027254491,
FCH1624076,
AS-41635,
Y-7932,
2-[(2-ethoxy-2-oxoethyl)amino]benzoic acid,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.308g/mol |
| Monoisotopic Mass | 230.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number