| CAS Number | 5562-23-2 |
| Catalog Number | AG00DHZL(AGN-PC-0WA5E6) |
| Chemical Name | 2-(3-PIPERIDYL)ACETONITRILE HYDROCHLORIDE |
| IUPAC Name | 2-piperidin-3-ylacetonitrile;hydrochloride |
| InChI | InChI=1S/C7H12N2.ClH/c8-4-3-7-2-1-5-9-6-7;/h7,9H,1-3,5-6H2;1H |
| InChI Key | JOFBEZBCUSIDGI-UHFFFAOYSA-N |
| MDL Number | MFCD19443966 |
| Molecular Formula | C7H13ClN2 |
| Molecular Weight | 160.6445 |
| SMILES | N#CCC1CNCCC1.[H]Cl |
| Synonyms | 5562-23-2,
2-(3-Piperidyl)acetonitrile hydrochloride,
2-(piperidin-3-yl)acetonitrile hydrochloride,
2-(PIPERIDIN-3-YL)ACETONITRILE HCL,
3-piperidinylacetonitrile hydrochloride,
SCHEMBL19510774,
DTXSID40735066,
5589AE,
MFCD19443966,
AKOS015949249,
CS-W001594,
RP08892,
AS-54523,
2-piperidin-3-ylacetonitrile hydrochloride,
FT-0685097,
J-505828,
(Piperidin-3-yl)acetonitrile--hydrogen chloride (1/1),
F2167-8343,
Z2507870625,
C7H13ClN2,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.645g/mol |
| Monoisotopic Mass | 160.077g/mol |
| Rotatable Bond Count | 1 |
| 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