| CAS Number | 344410-47-5 |
| Catalog Number | AG01BEBX(AGN-PC-0IHD4C) |
| Chemical Name | 3,3-Dimethylpiperidine-2-carbonitrile |
| IUPAC Name | 3,3-dimethylpiperidine-2-carbonitrile |
| InChI | InChI=1S/C8H14N2/c1-8(2)4-3-5-10-7(8)6-9/h7,10H,3-5H2,1-2H3 |
| InChI Key | YSWCOOQBONHEHB-UHFFFAOYSA-N |
| MDL Number | MFCD19220524 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CC1(C(C#N)NCCC1)C |
| Synonyms | 3,3-dimethylpiperidine-2-carbonitrile,
344410-47-5,
rac-3,3-Dimethylpiperidine-2-carbonitrile,
SCHEMBL5782420,
YSWCOOQBONHEHB-UHFFFAOYSA-N,
AKOS006358433,
MCULE-1728752545,
NE18626,
(RS)-3,3-dimethyl-piperidine-2-carbonitrile,
Z1869851739,
CID10582853,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number