| CAS Number | 460720-86-9 |
| Catalog Number | AG00DBG5(AGN-PC-0WO3V6) |
| Chemical Name | Phenyl(piperazin-1-yl)acetonitrile |
| IUPAC Name | 2-phenyl-2-piperazin-1-ylacetonitrile |
| InChI | InChI=1S/C12H15N3/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h1-5,12,14H,6-9H2 |
| InChI Key | BHGROGKAGDDTQA-UHFFFAOYSA-N |
| MDL Number | MFCD07692335 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | C1=CC=C(C=C1)C(C#N)N2CCNCC2 |
| Synonyms | phenyl(piperazin-1-yl)acetonitrile,
460720-86-9,
2-PHENYL-2-(PIPERAZIN-1-YL)ACETONITRILE,
EN300-23430,
2-(1-piperazinyl)-2-phenylacetonitrile,
AC1Q4QT2,
SCHEMBL5752267,
CTK7C5273,
phenyl (piperazin-1-yl)acetonitrile,
Phenyl-(piperazin-1-yl)acetonitrile,
AKOS000200483,
AKOS017282938,
MB04679,
MCULE-4447560239,
NE18687,
a-phenyl-a-(1-piperazinyl)-acetonitrile,
J-523945,
Z154666674,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number