| CAS Number | 1609400-26-1 |
| Catalog Number | AG00J3NP(AGN-PC-0WRAXR) |
| Chemical Name | N-(5-Bromo-2-methoxybenzyl)cyclohexanamine hydrobromide |
| IUPAC Name | N-[(5-bromo-2-methoxyphenyl)methyl]cyclohexanamine;hydrobromide |
| InChI | InChI=1S/C14H20BrNO.BrH/c1-17-14-8-7-12(15)9-11(14)10-16-13-5-3-2-4-6-13;/h7-9,13,16H,2-6,10H2,1H3;1H |
| InChI Key | CFGRVGIRKTXICH-UHFFFAOYSA-N |
| MDL Number | MFCD13186512 |
| Molecular Formula | C14H21Br2NO |
| Molecular Weight | 379.1306 |
| SMILES | C1(CNC2CCCCC2)=CC(Br)=CC=C1OC.Br |
| Synonyms | N-(5-bromo-2-methoxybenzyl)cyclohexanamine hydrobromide,
1609400-26-1,
ZX-CM015907,
MFCD13186512,
353779-26-7,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.136g/mol |
| Monoisotopic Mass | 376.999g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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