| CAS Number | 145256-72-0 |
| Catalog Number | AG01BS2G(AGN-PC-0O327P) |
| Chemical Name | 1-(adamantan-1-yl)-2-aminoethan-1-one hydrochloride |
| IUPAC Name | 1-(1-adamantyl)-2-aminoethanone;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7,13H2;1H |
| InChI Key | PDRIOKSNWKFNTE-UHFFFAOYSA-N |
| MDL Number | MFCD24325616 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | Cl.NCC(C12CC3CC(C1)CC(C3)C2)=O |
| Synonyms | 1-(adamantan-1-yl)-2-aminoethan-1-one hydrochloride,
145256-72-0,
Z2753058050,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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