| CAS Number | 4862-35-5 |
| Catalog Number | AG00JDBY(AGN-PC-0WC0O8) |
| Chemical Name | 3-(4-Methylpiperidin-1-yl)propanenitrile |
| IUPAC Name | 3-(4-methylpiperidin-1-yl)propanenitrile |
| InChI | InChI=1S/C9H16N2/c1-9-3-7-11(8-4-9)6-2-5-10/h9H,2-4,6-8H2,1H3 |
| InChI Key | KTIJMGLLLNVUDN-UHFFFAOYSA-N |
| MDL Number | MFCD06637736 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | C1CN(CCC#N)CCC1C |
| Synonyms | 3-(4-methylpiperidin-1-yl)propanenitrile,
4862-35-5,
3-(4-Methyl-piperidin-1-yl)-propionitrile,
3-(4-methyl-piperidino)-propionitrile,
SCHEMBL4258249,
CTK6C2962,
ALBB-004599,
BBL004016,
MFCD06637736,
STK503245,
ZINC15442122,
AKOS000171662,
MCULE-3008568756,
TR-058330,
R9227,
|
| Complexity | 148 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number