| CAS Number | 504-12-1 |
| Catalog Number | AG00I91Y(AGN-PC-0S8BTL) |
| Chemical Name | 9-Azabicyclo[3.3.1]nonan-3-ol,(3-endo)- |
| IUPAC Name | (1R,5S)-9-azabicyclo[3.3.1]nonan-3-ol |
| InChI | InChI=1S/C8H15NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-10H,1-5H2/t6-,7+,8? |
| InChI Key | LAZFLHAAIKYNNV-DHBOJHSNSA-N |
| MDL Number | MFCD07780804 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 |
| Synonyms | endo-9-azabicyclo[3.3.1]nonan-3-ol,
504-12-1,
exo-9-azabicyclo[3.3.1]nonan-3-ol,
SCHEMBL910861,
SCHEMBL911003,
ZINC39205616,
AKOS006287578,
AKOS006349370,
ZINC104396429,
ZINC104589086,
SB11524,
SB11526,
AJ-99035,
CS-13099,
CS-0032303,
9-Azabicyclo[3.3.1]nonan-3-ol,(3-endo)-,
(1R,3R,5S)-9-azabicyclo[3.3.1]nonan-3-ol,
26651-94-5,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.214g/mol |
| Monoisotopic Mass | 141.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number