| CAS Number | 1609409-25-7 |
| Catalog Number | AG00J3MM(AGN-PC-0WRAXD) |
| Chemical Name | N-(4-nitrobenzyl)cyclohexanamine hydrobromide |
| IUPAC Name | N-[(4-nitrophenyl)methyl]cyclohexanamine;hydrobromide |
| InChI | InChI=1S/C13H18N2O2.BrH/c16-15(17)13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12;/h6-9,12,14H,1-5,10H2;1H |
| InChI Key | SPEHVZSHPCIDIN-UHFFFAOYSA-N |
| MDL Number | MFCD13186265 |
| Molecular Formula | C13H19BrN2O2 |
| Molecular Weight | 315.2062 |
| SMILES | [N+](=O)([O-])C1C=CC(=CC=1)CNC1CCCCC1.Br |
| Synonyms | N-(4-nitrobenzyl)cyclohexanamine hydrobromide,
1609409-25-7,
ZX-CM015839,
MFCD13186265,
59507-51-6,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.211g/mol |
| Monoisotopic Mass | 314.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number