| CAS Number | 1609395-86-9 |
| Catalog Number | AG00J3NB |
| Chemical Name | N-(2-nitrobenzyl)-1-adamantanamine hydrobromide |
| IUPAC Name | N-[(2-nitrophenyl)methyl]adamantan-1-amine;hydrobromide |
| InChI | InChI=1S/C17H22N2O2.BrH/c20-19(21)16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17;/h1-4,12-14,18H,5-11H2;1H |
| InChI Key | ACZRUIOICLLBBN-UHFFFAOYSA-N |
| MDL Number | MFCD13186267 |
| Molecular Formula | C17H23BrN2O2 |
| Molecular Weight | 367.2807 |
| SMILES | [N+](=O)([O-])C1=CC=CC=C1CNC12CC3CC(CC(C3)C1)C2.Br |
| Synonyms | N-(2-Nitrobenzyl)-1-adamantanamine hydrobromide,
1609395-86-9,
ZX-CM015845,
MFCD13186267,
332108-14-2,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.287g/mol |
| Monoisotopic Mass | 366.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number