| CAS Number | 32813-37-9 |
| Catalog Number | AG01A656(AGN-PC-0R86MQ) |
| Chemical Name | 3-(Piperidin-1-yl)butanenitrile |
| IUPAC Name | 3-piperidin-1-ylbutanenitrile |
| InChI | InChI=1S/C9H16N2/c1-9(5-6-10)11-7-3-2-4-8-11/h9H,2-5,7-8H2,1H3 |
| InChI Key | ARZHGISVFNEUQS-UHFFFAOYSA-N |
| MDL Number | MFCD13183999 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | CC(N1CCCCC1)CC#N |
| Synonyms | 3-(piperidin-1-yl)butanenitrile,
32813-37-9,
3-Piperidinobutanenitrile,
SCHEMBL1427315,
AKOS010028738,
NE40868,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.241g/mol |
| Monoisotopic Mass | 152.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number