| CAS Number | 1609406-83-8 |
| Catalog Number | AG00J3IB |
| Chemical Name | N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine hydrobromide |
| IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]cycloheptanamine;hydrobromide |
| InChI | InChI=1S/C17H27NO2.BrH/c1-19-16-10-9-14(13-17(16)20-2)11-12-18-15-7-5-3-4-6-8-15;/h9-10,13,15,18H,3-8,11-12H2,1-2H3;1H |
| InChI Key | JGUBCLYRCPAEOA-UHFFFAOYSA-N |
| MDL Number | MFCD13186354 |
| Molecular Formula | C17H28BrNO2 |
| Molecular Weight | 358.3137 |
| SMILES | C1(OC)=CC(CCNC2CCCCCC2)=CC=C1OC.Br |
| Synonyms | N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]CYCLOHEPTANAMINE HYDROBROMIDE,
1609406-83-8,
ZX-CM015577,
MFCD13186354,
353772-45-9,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.32g/mol |
| Monoisotopic Mass | 357.13g/mol |
| Rotatable Bond Count | 6 |
| 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