| CAS Number | 1000304-34-6 |
| Catalog Number | AG0000BM(AGN-PC-0WQXEB) |
| Chemical Name | (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one |
| IUPAC Name | (1R,2R,5S,6R,7R)-6,8,8-trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one |
| InChI | InChI=1S/C11H17NO/c1-5-6-4-7(11(6,2)3)9-8(5)10(13)12-9/h5-9H,4H2,1-3H3,(H,12,13)/t5-,6-,7+,8+,9-/m1/s1 |
| InChI Key | DYJCUNKVHDGMKK-XGQMLPDNSA-N |
| MDL Number | MFCD11505101 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | O=C1N[C@H]2[C@@H]1[C@H](C)[C@H]1C[C@@H]2C1(C)C |
| Synonyms | (1R,2R,5S,6R,7R)-6,8,8-Trimethyl-3-azatricyclo[5.1.1.02,5]nonan-4-one,
1000304-34-6,
CTK3J8396,
FCH890836,
MFCD11505101,
ZINC32099126,
AKOS006323132,
OR307672,
T6102,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number