| CAS Number | 1609400-51-2 |
| Catalog Number | AG00J3L7(AGN-PC-0WRAWY) |
| Chemical Name | N-(3,4,5-trimethoxybenzyl)cyclohexanamine hydrobromide |
| IUPAC Name | N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanamine;hydrobromide |
| InChI | InChI=1S/C16H25NO3.BrH/c1-18-14-9-12(10-15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13;/h9-10,13,17H,4-8,11H2,1-3H3;1H |
| InChI Key | RKLYTTUGVBIUNK-UHFFFAOYSA-N |
| MDL Number | MFCD13186431 |
| Molecular Formula | C16H26BrNO3 |
| Molecular Weight | 360.2865 |
| SMILES | C1(OC)C(OC)=CC(=CC=1OC)CNC1CCCCC1.Br |
| Synonyms | N-(3,4,5-trimethoxybenzyl)cyclohexanamine hydrobromide,
1609400-51-2,
ZX-CM015786,
MFCD13186431,
227017-78-9,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.292g/mol |
| Monoisotopic Mass | 359.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number