| CAS Number | 119049-61-5 |
| Catalog Number | AG019KZQ(AGN-PC-0PCRXT) |
| Chemical Name | 1-(3,4-Dimethoxybenzoyl)piperazine hydrochloride |
| IUPAC Name | (3,4-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C13H18N2O3.ClH/c1-17-11-4-3-10(9-12(11)18-2)13(16)15-7-5-14-6-8-15;/h3-4,9,14H,5-8H2,1-2H3;1H |
| InChI Key | AKTBBCWREWWPIR-UHFFFAOYSA-N |
| MDL Number | MFCD09834097 |
| Molecular Formula | C13H19ClN2O3 |
| Molecular Weight | 286.7546 |
| SMILES | Cl.COC1=C(OC)C=C(C(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-(3,4-dimethoxybenzoyl)piperazine hydrochloride,
119049-61-5,
AC1Q3C06,
SCHEMBL9621229,
CTK6J7054,
AKTBBCWREWWPIR-UHFFFAOYSA-N,
AKOS026802326,
MCULE-8576737313,
NE36337,
EN300-29179,
3,4-dimethoxybenzoylpiperazine monohydrochloride,
N-(3,4-dimethoxybenzoyl)piperazine monohydrochloride,
Z235351537,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.756g/mol |
| Monoisotopic Mass | 286.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number