| CAS Number | 1609407-37-5 |
| Catalog Number | AG00J3PB(AGN-PC-0WRAYF) |
| Chemical Name | N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine hydrobromide |
| IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanamine;hydrobromide |
| InChI | InChI=1S/C16H25NO2.BrH/c1-18-15-9-8-13(12-16(15)19-2)10-11-17-14-6-4-3-5-7-14;/h8-9,12,14,17H,3-7,10-11H2,1-2H3;1H |
| InChI Key | LSDSQAXKIUEBLZ-UHFFFAOYSA-N |
| MDL Number | MFCD13186526 |
| Molecular Formula | C16H26BrNO2 |
| Molecular Weight | 344.2871 |
| SMILES | C1(OC)=CC(CCNC2CCCCC2)=CC=C1OC.Br |
| Synonyms | N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]CYCLOHEXANAMINE HYDROBROMIDE,
1609407-37-5,
ZX-CM015950,
MFCD13186526,
93285-86-0,
|
| Complexity | 241 |
| 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 | 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