| CAS Number | 65514-71-8 |
| Catalog Number | AG006PXD(AGN-PC-0NKHE0) |
| Chemical Name | Piperazine, 1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl- |
| EC Number | 613-811-5 |
| IUPAC Name | [2-(2-amino-4-chloroanilino)phenyl]-(4-methylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)18(24)14-4-2-3-5-16(14)21-17-7-6-13(19)12-15(17)20/h2-7,12,21H,8-11,20H2,1H3 |
| InChI Key | GDTYMTKNSABJKZ-UHFFFAOYSA-N |
| MDL Number | MFCD28154636 |
| Molecular Formula | C18H21ClN4O |
| Molecular Weight | 344.8385 |
| SMILES | CN1CCN(CC1)C(=O)c2ccccc2Nc3ccc(Cl)cc3N |
| Synonyms | 65514-71-8,
Piperazine, 1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl-,
(2-((2-Amino-4-chlorophenyl)amino)phenyl)(4-methylpiperazin-1-yl)methanone,
Clozapine EP Impurity D,
SCHEMBL9888482,
CTK1I2532,
DTXSID70511057,
AKOS028112203,
1-[2-[(2-Amino-4-chlorophenyl)amino]benzoyl]-4-methylpiperazine,
[2-(2-Amino-4-chloroanilino)phenyl](4-methylpiperazin-1-yl)methanone,
[2-(2-amino-4-chloroanilino)phenyl]-(4-methylpiperazin-1-yl)methanone,
GDTYMTKNSABJKZ-UHFFFAOYSA-N,
Piperazine,1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl-,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.843g/mol |
| Monoisotopic Mass | 344.14g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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