| CAS Number | 33386-13-9 |
| Catalog Number | AG019LNF(AGN-PC-0WO64O) |
| Chemical Name | (4-Pyrimidin-2-ylpiperazin-1-yl)acetonitrile |
| IUPAC Name | 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile |
| InChI | InChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2 |
| InChI Key | GNHNLTWAAXUZQJ-UHFFFAOYSA-N |
| MDL Number | MFCD09906907 |
| Molecular Formula | C10H13N5 |
| Molecular Weight | 203.2437 |
| SMILES | N#CCN1CCN(C2=NC=CC=N2)CC1 |
| Synonyms | 2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetonitrile,
33386-13-9,
(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile,
AC1Q4SIE,
1-Piperazineacetonitrile, 4-(2-pyrimidinyl)-,
SCHEMBL1306779,
CTK7D0543,
GNHNLTWAAXUZQJ-UHFFFAOYSA-N,
ZINC19506918,
AKOS000190796,
MCULE-5929855915,
NE14603,
EN300-31867,
(4-Pyrimidin-2-yl-piperazin-1-yl)-acetonitrile,
Z124001306,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.249g/mol |
| Monoisotopic Mass | 203.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number