| CAS Number | 138564-61-1 |
| Catalog Number | AG009F5Q(AGN-PC-0PMXAZ) |
| Chemical Name | 1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine |
| IUPAC Name | [2-(2-aminoanilino)-5-methylthiophen-3-yl]-(4-methylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C17H22N4OS/c1-12-11-13(17(22)21-9-7-20(2)8-10-21)16(23-12)19-15-6-4-3-5-14(15)18/h3-6,11,19H,7-10,18H2,1-2H3 |
| InChI Key | NVVVXCDSGMPBCB-UHFFFAOYSA-N |
| MDL Number | MFCD28143443 |
| Molecular Formula | C17H22N4OS |
| Molecular Weight | 330.4478 |
| SMILES | NC1=C(C=CC=C1)NC=1SC(=CC1C(=O)N1CCN(CC1)C)C |
| Synonyms | 138564-61-1,
1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine,
SCHEMBL2537109,
J-007156,
Olanzapine Ring-opening Impurity,
NVVVXCDSGMPBCB-UHFFFAOYSA-N,
CS-O-10895,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.45g/mol |
| Monoisotopic Mass | 330.151g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number