endo-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane - CAS 143557-91-9
Catalog: |
BB009631 |
Product Name: |
endo-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane |
CAS: |
143557-91-9 |
Synonyms: |
(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester; tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate |
IUPAC Name: | tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate |
Description: | endo-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane (CAS# 143557-91-9) is a useful research chemical compound. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCC1CC(C2)O |
InChI: | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10? |
InChI Key: | SEGZJJSZYOEABC-ULKQDVFKSA-N |
Boiling Point: | 327.9 °C at 760 mmHg |
Density: | 1.146 g/cm3 |
MDL: | MFCD13568915 |
LogP: | 1.84710 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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