| CAS Number | 1609406-25-8 |
| Catalog Number | AG00J3NO |
| Chemical Name | N-(2,4-dimethoxybenzyl)-2-methylcyclohexanamine hydrobromide |
| IUPAC Name | N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine;hydrobromide |
| InChI | InChI=1S/C16H25NO2.BrH/c1-12-6-4-5-7-15(12)17-11-13-8-9-14(18-2)10-16(13)19-3;/h8-10,12,15,17H,4-7,11H2,1-3H3;1H |
| InChI Key | WFLSNJFRTYTGDX-UHFFFAOYSA-N |
| MDL Number | MFCD13186493 |
| Molecular Formula | C16H26BrNO2 |
| Molecular Weight | 344.2871 |
| SMILES | C1(=CC=C(C=C1OC)OC)CNC1CCCCC1C.Br |
| Synonyms | N-(2,4-dimethoxybenzyl)-2-methylcyclohexanamine hydrobromide,
1609406-25-8,
ZX-CM015868,
MFCD13186493,
355382-76-2,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.293g/mol |
| Monoisotopic Mass | 343.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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