tert-Butyl 5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate - CAS 198835-06-2
Catalog: |
BB015364 |
Product Name: |
tert-Butyl 5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate |
CAS: |
198835-06-2 |
Synonyms: |
5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester; tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate |
IUPAC Name: | tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate |
Description: | tert-Butyl 5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate (CAS# 198835-06-2) is a useful research chemical. |
Molecular Weight: | 211.26 |
Molecular Formula: | C11H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CC1CC2=O |
InChI: | InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3 |
InChI Key: | YGENGNQEVDONGO-UHFFFAOYSA-N |
Boiling Point: | 308 °C |
LogP: | 1.52270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.12084340 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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