| CAS Number | 1609409-46-2 |
| Catalog Number | AG00J3M3 |
| Chemical Name | N-(4-nitrobenzyl)cycloheptanamine hydrobromide |
| IUPAC Name | N-[(4-nitrophenyl)methyl]cycloheptanamine;hydrobromide |
| InChI | InChI=1S/C14H20N2O2.BrH/c17-16(18)14-9-7-12(8-10-14)11-15-13-5-3-1-2-4-6-13;/h7-10,13,15H,1-6,11H2;1H |
| InChI Key | AIQJIKBITMFCLK-UHFFFAOYSA-N |
| MDL Number | MFCD13186420 |
| Molecular Formula | C14H21BrN2O2 |
| Molecular Weight | 329.2327 |
| SMILES | [N+](=O)([O-])C1C=CC(=CC=1)CNC1CCCCCC1.Br |
| Synonyms | N-(4-nitrobenzyl)cycloheptanamine hydrobromide,
1609409-46-2,
ZX-CM015770,
MFCD13186420,
355814-18-5,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.238g/mol |
| Monoisotopic Mass | 328.079g/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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