| CAS Number | 934601-25-9 |
| Catalog Number | AG01A3YB |
| Chemical Name | 1-(4-[(4-AMINOPHENYL)METHYL]PIPERAZIN-1-YL)ETHAN-1-ONE |
| IUPAC Name | 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]ethanone |
| InChI | InChI=1S/C13H19N3O/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(14)5-3-12/h2-5H,6-10,14H2,1H3 |
| InChI Key | KSSBFJYMUTXPHA-UHFFFAOYSA-N |
| MDL Number | MFCD09737041 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | CC(N1CCN(CC2=CC=C(N)C=C2)CC1)=O |
| Synonyms | 1-{4-[(4-aminophenyl)methyl]piperazin-1-yl}ethan-1-one,
934601-25-9,
1-(4-(4-aminobenzyl)piperazin-1-yl)ethanone,
SCHEMBL3916831,
CTK6A0471,
ZINC20398338,
AKOS000142479,
NE35476,
4-[(4-ACETYLPIPERAZIN-1-YL)METHYL]ANILINE,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.315g/mol |
| Monoisotopic Mass | 233.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number