| CAS Number | 1432679-87-2 |
| Catalog Number | AG01A4D8 |
| Chemical Name | N-[(3,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine hydrochloride |
| IUPAC Name | N-[(3,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C16H25NO2.ClH/c1-12-6-4-5-7-14(12)17-11-13-8-9-15(18-2)16(10-13)19-3;/h8-10,12,14,17H,4-7,11H2,1-3H3;1H |
| InChI Key | XGGOBSUYYCVKND-UHFFFAOYSA-N |
| MDL Number | MFCD23701840 |
| Molecular Formula | C16H26ClNO2 |
| Molecular Weight | 299.8361 |
| SMILES | Cl.COC1=C(OC)C=C(CNC2C(C)CCCC2)C=C1 |
| Synonyms | N-[(3,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine hydrochloride,
1432679-87-2,
MCULE-9956917982,
NE28339,
Z1582263065,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.839g/mol |
| Monoisotopic Mass | 299.165g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number