| CAS Number | 85561-54-2 |
| Catalog Number | AG00J2RK(AGN-PC-00KVSG) |
| Chemical Name | 2-piperidinylacetonitrile |
| IUPAC Name | 2-piperidin-2-ylacetonitrile |
| InChI | InChI=1S/C7H12N2/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-4,6H2 |
| InChI Key | NFZNSNZSCQCOCU-UHFFFAOYSA-N |
| MDL Number | MFCD13176216 |
| Molecular Formula | C7H12N2 |
| Molecular Weight | 124.1836 |
| SMILES | C1CCNC(C1)CC#N |
| Synonyms | 85561-54-2,
2-PIPERIDINEACETONITRILE,
2-piperidinylacetonitrile,
Piperidin-2-ylacetonitrile,
2-(piperidin-2-yl)acetonitrile,
(Piperidin-2-yl)acetonitrile,
SCHEMBL3941101,
DTXSID10518126,
ALBB-026521,
ZX-AN025032,
ZX-CM010533,
FCH954794,
MFCD13176216,
AKOS006353946,
Y-7323,
I02-0164,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.187g/mol |
| Monoisotopic Mass | 124.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number