| CAS Number | 1193388-93-0 |
| Catalog Number | AG0097GR |
| Chemical Name | 9-Benzyl-9-Azabicyclo[5.3.1]Undecan-11-One |
| IUPAC Name | 9-benzyl-9-azabicyclo[5.3.1]undecan-11-one |
| InChI | InChI=1S/C17H23NO/c19-17-15-9-5-2-6-10-16(17)13-18(12-15)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2 |
| InChI Key | CAKHVQISVLHFSJ-UHFFFAOYSA-N |
| MDL Number | MFCD13618347 |
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.3706 |
| SMILES | C(C1=CC=CC=C1)N1CC2CCCCCC(C1)C2=O |
| Synonyms | 9-benzyl-9-azabicyclo[5.3.1]undecan-11-one,
1193388-93-0,
AC1Q6DWR,
CTK7H2030,
MFCD13618347,
AKOS030629883,
CS-W000682,
MCULE-2355024639,
NE57243,
NCGC00337665-01,
AS-48609,
EN300-51140,
9-Benzyl-9-azabicyclo[5.3.1]undecane-11-one,
AB01186830-03,
Z803153482,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.377g/mol |
| Monoisotopic Mass | 257.178g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number