| CAS Number | 927703-20-6 |
| Catalog Number | AG00IHBG(AGN-PC-0WA9AP) |
| Chemical Name | 4-(4-Ethylpiperazin-1-yl)-3-methoxybenzonitrile |
| IUPAC Name | 4-(4-ethylpiperazin-1-yl)-3-methoxybenzonitrile |
| InChI | InChI=1S/C14H19N3O/c1-3-16-6-8-17(9-7-16)13-5-4-12(11-15)10-14(13)18-2/h4-5,10H,3,6-9H2,1-2H3 |
| InChI Key | PQYJZNRENLHALQ-UHFFFAOYSA-N |
| MDL Number | MFCD22689080 |
| Molecular Formula | C14H19N3O |
| Molecular Weight | 245.3202 |
| SMILES | CCN1CCN(CC1)c1ccc(cc1OC)C#N |
| Synonyms | 4-(4-Ethylpiperazin-1-yl)-3-methoxybenzonitrile,
927703-20-6,
KM3140,
ZINC95217822,
AKOS026673888,
V9206,
4-(4-ETHYL-1-PIPERAZINYL)-3-METHOXY-BENZONITRILE,
C14H19N3O,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.326g/mol |
| Monoisotopic Mass | 245.153g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number