| CAS Number | 523980-89-4 |
| Catalog Number | AG019M5E |
| Chemical Name | 1-[(4,5-Dimethoxy-2-methylphenyl)methyl]piperazine |
| IUPAC Name | 1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine |
| InChI | InChI=1S/C14H22N2O2/c1-11-8-13(17-2)14(18-3)9-12(11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3 |
| InChI Key | PAPSIFSFDBSMHX-UHFFFAOYSA-N |
| MDL Number | MFCD05189182 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.3367 |
| SMILES | COC1=C(OC)C=C(CN2CCNCC2)C(C)=C1 |
| Synonyms | 1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine,
523980-89-4,
AC1N6W44,
SBB042747,
STL301643,
ZINC19770106,
AKOS000268918,
MCULE-6387050177,
1-(4,5-dimethoxy-2-methylbenzyl)piperazine,
4,5-dimethoxy-2-methyl-1-(piperazinylmethyl)benzene,
CID4241534,
1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.342g/mol |
| Monoisotopic Mass | 250.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number