| CAS Number | 93413-79-7 |
| Catalog Number | AG00H1CU(AGN-PC-0W2YIT) |
| Chemical Name | 2-(Cyclohex-1-en-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine hydrochloride |
| IUPAC Name | 2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine;hydrochloride |
| InChI | InChI=1S/C17H25NO.ClH/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15;/h7,9-12,17H,4-6,8,13H2,1-3H3;1H |
| InChI Key | FRUZSOSEIYTGFT-UHFFFAOYSA-N |
| MDL Number | MFCD21396215 |
| Molecular Formula | C17H26ClNO |
| Molecular Weight | 295.8474 |
| SMILES | Cl.COc1ccc(cc1)C(CN(C)C)C2=CCCCC2 |
| Synonyms | 93413-79-7,
Venlafaxine Impurity F,
WY 45960 hydrochloride,
2-cyclohexenyl-2-(4-methoxyphenyl)-N,N-dimethylethanamine hydrochloride,
(2RS)-2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine Hydrochloride,
2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine;hydrochloride,
Venlafaxine EP Impurity F,
93413-57-1,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.851g/mol |
| Monoisotopic Mass | 295.17g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number