N,N-Dipropyl-9-oxo-bispidine - CAS 926276-14-4
Catalog: |
BB063126 |
Product Name: |
N,N-Dipropyl-9-oxo-bispidine |
CAS: |
926276-14-4 |
Synonyms: |
3,7-Dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one |
IUPAC Name: | 3,7-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one |
Description: | A useful ligand in organic synthesis. It can be used for synthesizing a key building block for HCV protease inhibitor telaprevir. |
Molecular Weight: | 224.34 |
Molecular Formula: | C13H24N2O |
Canonical SMILES: | CCCN1CC2CN(CC(C1)C2=O)CCC |
InChI: | InChI=1S/C13H24N2O/c1-3-5-14-7-11-9-15(6-4-2)10-12(8-14)13(11)16/h11-12H,3-10H2,1-2H3 |
InChI Key: | OMFLPCGPRUWPBC-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Yellow Oil |
References: | Tanoury, G.J., et.al. Org Process Res Dev., 18, 1234-1244, (2014). |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.188863393 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.188863393 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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