| CAS Number | 885269-69-2 |
| Catalog Number | AG0089PQ(AGN-PC-0VM5DR) |
| Chemical Name | tert-Butyl ((4-aminotetrahydro-2H-pyran-4-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(4-aminooxan-4-yl)methyl]carbamate |
| InChI | InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-8-11(12)4-6-15-7-5-11/h4-8,12H2,1-3H3,(H,13,14) |
| InChI Key | OKKXSYCQUVNYBS-UHFFFAOYSA-N |
| MDL Number | MFCD08234567 |
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.3040 |
| SMILES | O=C(OC(C)(C)C)NCC1(N)CCOCC1 |
| Synonyms | 885269-69-2,
TERT-BUTYL(4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHYLCARBAMATE,
TERT-BUTYL ((4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHYL)CARBAMATE,
tert-butyl N-[(4-aminooxan-4-yl)methyl]carbamate,
tert-butyl (4-aminotetrahydro-2H-pyran-4-yl)methylcarbamate,
SCHEMBL16846897,
ZINC95742592,
PB31032,
AS-42440,
CS-0055296,
tert-Butyl methylcarbamate,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.163043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.3g/mol |
| Monoisotopic Mass | 230.163043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number