| CAS Number | 1357353-12-8 |
| Catalog Number | AG00HUD2(AGN-PC-0WG4PD) |
| Chemical Name | 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane |
| IUPAC Name | 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane |
| InChI | InChI=1S/C13H18N2O/c1-2-4-11(5-3-1)6-15-7-12-9-16-10-13(8-15)14-12/h1-5,12-14H,6-10H2 |
| InChI Key | CJHJMYYZZUEKSD-UHFFFAOYSA-N |
| MDL Number | MFCD22209406 |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.2948 |
| SMILES | C(C1=CC=CC=C1)N1CC2COCC(C1)N2 |
| Synonyms | 7-Benzyl-3-oxa-7,9-diaza-bicyclo[3,3,1] nonane,
1357353-12-8,
MFCD22209406,
AKOS027429169,
AM805859,
7-Benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.3g/mol |
| Monoisotopic Mass | 218.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number