| CAS Number | 825-28-5 |
| Catalog Number | AG008IUN(AGN-PC-059GKJ) |
| Chemical Name | 2-(2,6-dimethylpiperidin-1-yl)acetonitrile |
| IUPAC Name | 2-(2,6-dimethylpiperidin-1-yl)acetonitrile |
| InChI | InChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3 |
| InChI Key | NLOSAIIVENGARV-UHFFFAOYSA-N |
| MDL Number | MFCD09906883 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | CC1N(CC#N)C(C)CCC1 |
| Synonyms | 2-(2,6-dimethylpiperidin-1-yl)acetonitrile,
825-28-5,
(2,6-Dimethyl-1-piperidinyl)acetonitrile,
AC1Q2QZ0,
SCHEMBL2248191,
CTK5E9785,
DTXSID20509348,
NLOSAIIVENGARV-UHFFFAOYSA-N,
(2,6-dimethylpiperidino)acetonitrile,
AKOS000181206,
AKOS024151788,
MCULE-6609295318,
NE28911,
(2,6-Dimethylpiperidin-1-yl)acetonitrile,
EN300-43353,
Z1127154178,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number