| CAS Number | 1093402-61-9 |
| Catalog Number | AG008ZRI(AGN-PC-01JE6J) |
| Chemical Name | Benzo[1,3]dioxol-5-yl-piperazin-1-yl-methanone hydrochloride |
| IUPAC Name | 1,3-benzodioxol-5-yl(piperazin-1-yl)methanone;hydrochloride |
| InChI | InChI=1S/C12H14N2O3.ClH/c15-12(14-5-3-13-4-6-14)9-1-2-10-11(7-9)17-8-16-10;/h1-2,7,13H,3-6,8H2;1H |
| InChI Key | JDEOLWHTDQBEDO-UHFFFAOYSA-N |
| MDL Number | MFCD10534024 |
| Molecular Formula | C12H15ClN2O3 |
| Molecular Weight | 270.7121 |
| SMILES | O=C(C1=CC=C(OCO2)C2=C1)N3CCNCC3.[H]Cl |
| Synonyms | 1093402-61-9,
Benzo[d][1,3]dioxol-5-yl(piperazin-1-yl)methanone hydrochloride,
Benzo[1,3]dioxol-5-yl-piperazin-1-yl-methanone hydrochloride,
1-(2H-1,3-benzodioxole-5-carbonyl)piperazine hydrochloride,
AKOS024464335,
MCULE-5854622843,
ST24046053,
Z235352015,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.713g/mol |
| Monoisotopic Mass | 270.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number