| CAS Number | 434937-12-9 |
| Catalog Number | AG003D2X(AGN-PC-0RRSH4) |
| Chemical Name | 1-(Cyanomethyl)piperidinium Tetrafluoroborate |
| IUPAC Name | 2-piperidin-1-ium-1-ylacetonitrile;tetrafluoroborate |
| InChI | InChI=1S/C7H12N2.BF4/c8-4-7-9-5-2-1-3-6-9;2-1(3,4)5/h1-3,5-7H2;/q;-1/p+1 |
| InChI Key | HSIKBRNFKUNHIN-UHFFFAOYSA-O |
| MDL Number | MFCD18207717 |
| Molecular Formula | C7H13BF4N2 |
| Molecular Weight | 211.9961 |
| SMILES | F[B-](F)(F)F.C(#N)C[NH+]1CCCCC1 |
| Synonyms | 1-(Cyanomethyl)piperidinium Tetrafluoroborate,
434937-12-9,
ACMC-209jur,
CTK4I7370,
DTXSID60693710,
ANW-30001,
MFCD18207717,
AKOS015832911,
TR-036803,
1-(Cyanomethyl)piperidin-1-ium tetrafluoroborate,
C2421,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.999g/mol |
| Monoisotopic Mass | 212.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number