| CAS Number | 951905-18-3 |
| Catalog Number | AG01A9RM |
| Chemical Name | 2-(3,5-Dimethylpiperidin-1-yl)acetonitrile |
| IUPAC Name | 2-(3,5-dimethylpiperidin-1-yl)acetonitrile |
| InChI | InChI=1S/C9H16N2/c1-8-5-9(2)7-11(6-8)4-3-10/h8-9H,4-7H2,1-2H3 |
| InChI Key | KEHLLCJFZXAPCW-UHFFFAOYSA-N |
| MDL Number | MFCD09906894 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | CC1CN(CC#N)CC(C)C1 |
| Synonyms | 2-(3,5-dimethylpiperidin-1-yl)acetonitrile,
951905-18-3,
AC1Q2QM4,
AKOS000181936,
AKOS016895329,
MCULE-9571217073,
NE14602,
EN300-65944,
|
| Complexity | 158 |
| 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 | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number