| CAS Number | 83898-13-9 |
| Catalog Number | AG005404(AGN-PC-0UPSFX) |
| Chemical Name | 2-phenyl-2-(piperidin-4-yl)acetonitrile hydrochloride |
| EC Number | 281-221-1 |
| IUPAC Name | 2-phenyl-2-piperidin-4-ylacetonitrile;hydrochloride |
| InChI | InChI=1S/C13H16N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-9H2;1H |
| InChI Key | WRDAZTDNMRJELV-UHFFFAOYSA-N |
| MDL Number | MFCD00035306 |
| Molecular Formula | C13H17ClN2 |
| Molecular Weight | 236.7405 |
| NSC Number | 80680 |
| SMILES | Cl.N#CC(C1=CC=CC=C1)C1CCNCC1 |
| Synonyms | 83898-13-9,
4-Piperidineacetonitrile,a-phenyl-, hydrochloride (1:1),
SCHEMBL2586181,
CTK5F1385,
WRDAZTDNMRJELV-UHFFFAOYSA-N,
NSC80680,
NSC-80680,
FT-0696629,
alpha-phenyl-4-piperidineacetonitrile hydrochloride,
alpha-phenyl-4-piperidineacetonitrile monohydrochloride,
C13H16N2.ClH,
C13-H16-N2.Cl-H,
EINECS 281-221-1,
alpha-Phenylpiperidine-4-acetonitrile HCl,
alpha-Phenylpiperidine-4-acetonitrile monohydrochloride,
alpha-phenylpiperidine-4-acetonitrilemonohydrochloride,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.743g/mol |
| Monoisotopic Mass | 236.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number