| CAS Number | 335620-97-8 |
| Catalog Number | AG00IXLZ(AGN-PC-0R93CP) |
| Chemical Name | 3-Benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride |
| IUPAC Name | 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochloride |
| InChI | InChI=1S/C13H18N2O.2ClH/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(10-15)16-12;;/h1-5,12-14H,6-10H2;2*1H |
| InChI Key | WYJXAGJCXWTTAH-UHFFFAOYSA-N |
| MDL Number | MFCD27956752 |
| Molecular Formula | C13H20Cl2N2O |
| Molecular Weight | 291.2167 |
| SMILES | Cl.Cl.C(C1=CC=CC=C1)N1CC2OC(CNC2)C1 |
| Synonyms | 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride,
335620-97-8,
SCHEMBL1619305,
WYJXAGJCXWTTAH-UHFFFAOYSA-N,
KS-00002BH2,
AKOS030242348,
SS-4990,
3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydro-chloride,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.216g/mol |
| Monoisotopic Mass | 290.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number