| CAS Number | 113698-83-2 |
| Catalog Number | AG01CCOL(AGN-PC-0P595H) |
| Chemical Name | Piperazine, 1-[(2,4,6-trimethoxyphenyl)methyl]-, dihydrochloride |
| IUPAC Name | 1-[(2,4,6-trimethoxyphenyl)methyl]piperazine |
| InChI | InChI=1S/C14H22N2O3/c1-17-11-8-13(18-2)12(14(9-11)19-3)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3 |
| InChI Key | OBRWIIFFRKWIOH-UHFFFAOYSA-N |
| MDL Number | MFCD27967197 |
| Molecular Formula | C14H24Cl2N2O3 |
| Molecular Weight | 339.2580 |
| SMILES | COC1=CC(OC)=CC(OC)=C1CN2CCNCC2.Cl.Cl |
| Synonyms | 113698-83-2,
SCHEMBL14252518,
DTXSID00551446,
ZINC38086750,
AKOS005823145,
1-(2,4,6-trimethoxybenzyl)piperazine,
1-[(2,4,6-trimethoxyphenyl)methyl]piperazine,
1-[(2,4,6-Trimethoxyphenyl)methyl]piperazine Hydrochloride,
1-(2,4,6-Trimethoxybenzyl)piperazine Dihydrochloride,
754147-91-6,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.341g/mol |
| Monoisotopic Mass | 266.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number