| CAS Number | 1350734-62-1 |
| Catalog Number | AG009ZUE(AGN-PC-0WNRDJ) |
| Chemical Name | tert-Butyl (3S,4S)-4-aminotetrahydro-2H-pyran-3-ylcarbamate |
| IUPAC Name | tert-butyl N-[(3S,4S)-4-aminooxan-3-yl]carbamate |
| InChI | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m0/s1 |
| InChI Key | FEECMUCDEXAFQK-JGVFFNPUSA-N |
| MDL Number | MFCD20502270 |
| Molecular Formula | C10H20N2O3 |
| Molecular Weight | 216.2774 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]1COCC[C@@H]1N |
| Synonyms | tert-Butyl ((3S,4S)-4-aminotetrahydro-2H-pyran-3-yl)carbamate,
1350734-62-1,
SCHEMBL19019057,
MFCD20502270,
ZINC91691136,
AKOS027256135,
CS-0058292,
EN300-244404,
tert-butyl N-[(3S,4S)-4-aminooxan-3-yl]carbamate,
Z2235407730,
t-Butyl ((3S,4S)-4-aminotetrahydro-2H-pyran-3-yl)carbamate,
tert-Butyl ((3R,4R)-4-aminotetrahydro-2H-pyran-3-yl)carbamate,
1240390-36-6,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.281g/mol |
| Monoisotopic Mass | 216.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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