tert-Butyl rel-(4aR,7aR)-3-oxo-4a,5,7,7a-Tetrahydro-4H-pyrrolo[3,4-b] [1,4]oxazine-6-carboxylate - CAS 1250994-08-1
Catalog: |
BB071113 |
Product Name: |
tert-Butyl rel-(4aR,7aR)-3-oxo-4a,5,7,7a-Tetrahydro-4H-pyrrolo[3,4-b] [1,4]oxazine-6-carboxylate |
CAS: |
1250994-08-1 |
Synonyms: |
Trans-Tert-Butyl3-Oxohexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate; tert-butyl3-oxohexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate; tert-butyl (4aR,7aR)-3-oxo-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate; tert-butyl (4aR,7aR)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate |
IUPAC Name: | tert-butyl (4aR,7aR)-3-oxo-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate |
Molecular Weight: | 242.27 |
Molecular Formula: | C11H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)OCC(=O)N2 |
InChI: | InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)13-4-7-8(5-13)16-6-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1 |
InChI Key: | YDGKPNUYHUQQDS-HTQZYQBOSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.12665706 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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