| CAS Number | 1609396-03-3 |
| Catalog Number | AG00J3OU(AGN-PC-0WRAYB) |
| Chemical Name | Benzenemethanamine, N-cyclohexyl-2,4-dimethoxy-, hydrobromide (1:1) |
| IUPAC Name | N-[(2,4-dimethoxyphenyl)methyl]cyclohexanamine;hydrobromide |
| InChI | InChI=1S/C15H23NO2.BrH/c1-17-14-9-8-12(15(10-14)18-2)11-16-13-6-4-3-5-7-13;/h8-10,13,16H,3-7,11H2,1-2H3;1H |
| InChI Key | NFAZCEUIRBXBCK-UHFFFAOYSA-N |
| MDL Number | MFCD13186515 |
| Molecular Formula | C15H24BrNO2 |
| Molecular Weight | 330.2606 |
| SMILES | COc1cc(OC)ccc1CNC1CCCCC1.Br |
| Synonyms | N-(2,4-dimethoxybenzyl)cyclohexanamine hydrobromide,
1609396-03-3,
ZX-CM015910,
MFCD13186515,
356093-86-2,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.266g/mol |
| Monoisotopic Mass | 329.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number