| CAS Number | 1609407-42-2 |
| Catalog Number | AG00J3LA |
| Chemical Name | N-(2,4,5-trimethoxybenzyl)cycloheptanamine hydrobromide |
| IUPAC Name | N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide |
| InChI | InChI=1S/C17H27NO3.BrH/c1-19-15-11-17(21-3)16(20-2)10-13(15)12-18-14-8-6-4-5-7-9-14;/h10-11,14,18H,4-9,12H2,1-3H3;1H |
| InChI Key | OIZBIZBUCSRPKA-UHFFFAOYSA-N |
| MDL Number | MFCD13186419 |
| Molecular Formula | C17H28BrNO3 |
| Molecular Weight | 374.3131 |
| SMILES | C1(CNC2CCCCCC2)=CC(OC)=C(C=C1OC)OC.Br |
| Synonyms | N-(2,4,5-trimethoxybenzyl)cycloheptanamine hydrobromide,
1609407-42-2,
ZX-CM015766,
MFCD13186419,
418778-25-3,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.319g/mol |
| Monoisotopic Mass | 373.125g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number