| CAS Number | 1609408-97-0 |
| Catalog Number | AG00J3NE(AGN-PC-0WRAXO) |
| Chemical Name | N-(2-pyridinylmethyl)-1-adamantanamine hydrobromide |
| IUPAC Name | N-(pyridin-2-ylmethyl)adamantan-1-amine;hydrobromide |
| InChI | InChI=1S/C16H22N2.BrH/c1-2-4-17-15(3-1)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16;/h1-4,12-14,18H,5-11H2;1H |
| InChI Key | VCPIKWOECUWYGC-UHFFFAOYSA-N |
| MDL Number | MFCD09870088 |
| Molecular Formula | C16H23BrN2 |
| Molecular Weight | 323.2712 |
| SMILES | C12(CC3CC(CC(C3)C1)C2)NCC1=CC=CC=N1.Br |
| Synonyms | N-(2-pyridinylmethyl)-1-adamantanamine hydrobromide,
1609408-97-0,
ZX-CM015826,
MFCD09870088,
355382-19-3,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.278g/mol |
| Monoisotopic Mass | 322.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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