| CAS Number | 1311316-75-2 |
| Catalog Number | AG01AH7B |
| Chemical Name | 4-amino-1-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride |
| IUPAC Name | 4-amino-1-(4-phenylpiperazin-1-yl)butan-1-one;dihydrochloride |
| InChI | InChI=1S/C14H21N3O.2ClH/c15-8-4-7-14(18)17-11-9-16(10-12-17)13-5-2-1-3-6-13;;/h1-3,5-6H,4,7-12,15H2;2*1H |
| InChI Key | IEEPKDJEGQVJEN-UHFFFAOYSA-N |
| MDL Number | MFCD18483231 |
| Molecular Formula | C14H23Cl2N3O |
| Molecular Weight | 320.2579 |
| SMILES | Cl.Cl.NCCCC(N1CCN(C2=CC=CC=C2)CC1)=O |
| Synonyms | 4-amino-1-(4-phenylpiperazin-1-yl)butan-1-one dihydrochloride,
1311316-75-2,
MCULE-7856967571,
NE27985,
EN300-73910,
Z1266933807,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.258g/mol |
| Monoisotopic Mass | 319.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number