| CAS Number | 1171557-04-2 |
| Catalog Number | AG019V35 |
| Chemical Name | 1-[(3-Methoxy-4-methylphenyl)carbonyl]piperazine hydrochloride |
| IUPAC Name | (3-methoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C13H18N2O2.ClH/c1-10-3-4-11(9-12(10)17-2)13(16)15-7-5-14-6-8-15;/h3-4,9,14H,5-8H2,1-2H3;1H |
| InChI Key | UQHCSGBZLZNPMR-UHFFFAOYSA-N |
| MDL Number | MFCD12197015 |
| Molecular Formula | C13H19ClN2O2 |
| Molecular Weight | 270.7552 |
| SMILES | Cl.COC1=C(C)C=CC(C(N2CCNCC2)=O)=C1 |
| Synonyms | 1-(3-methoxy-4-methylbenzoyl)piperazine hydrochloride,
1171557-04-2,
1-[(3-methoxy-4-methylphenyl)carbonyl]piperazine hydrochloride,
AC1Q3BYO,
CTK6J6695,
AKOS026851955,
MCULE-1841840973,
NE18985,
EN300-43597,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.757g/mol |
| Monoisotopic Mass | 270.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number