| CAS Number | 1820570-33-9 |
| Catalog Number | AG00J2OM(AGN-PC-0WRAPU) |
| Chemical Name | rac-(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one |
| IUPAC Name | (1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one |
| InChI | InChI=1S/C8H14N2O/c1-10-7-3-2-6(8(10)11)4-9-5-7/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1 |
| InChI Key | ZUPCKOVDCHXISZ-RQJHMYQMSA-N |
| MDL Number | MFCD22370147 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | C1(=O)[C@H]2CNC[C@H](CC2)N1C |
| Synonyms | rac-(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one,
1820570-33-9,
MFCD22370147,
ZINC72362058,
AKOS030631151,
Y-8483,
(1R*,5S*)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number