3-Benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione - CAS 17783-46-9
Catalog: |
BB013339 |
Product Name: |
3-Benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione |
CAS: |
17783-46-9 |
Synonyms: |
8-methyl-3-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octane-2,4-dione; 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione |
IUPAC Name: | 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione |
Description: | 3-Benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione (CAS# 17783-46-9 ) is a useful research chemical. |
Molecular Weight: | 244.29 |
Molecular Formula: | C14H16N2O2 |
Canonical SMILES: | CN1C2CCC1C(=O)N(C2=O)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H16N2O2/c1-15-11-7-8-12(15)14(18)16(13(11)17)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3 |
InChI Key: | LAEFEQWBXJQNGP-UHFFFAOYSA-N |
Boiling Point: | 438.5 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
LogP: | 0.89400 |
Publication Number | Title | Priority Date |
US-2011092487-A1 | Novel 3,8-diaza-bicyclo[3.2.1]octane-and 3,9-diaza-bicyclo[3.3.1]-nonane-3-carboxylic acid ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | 20080305 |
EP-2029607-A1 | Novel 8,10-diaza-bicycloý4.3.1¨decane derivatives and their medical use | 20060523 |
US-2009099153-A1 | Novel 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use | 20060523 |
US-7910578-B2 | 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use | 20060523 |
EP-1869050-A1 | Novel substituted diazabicyclo derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | 20050404 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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