| CAS Number | 37123-91-4 |
| Catalog Number | AG00CLVI(AGN-PC-03G89N) |
| Chemical Name | 2-(1-Methylpiperidin-4-ylidene)acetonitrile |
| IUPAC Name | 2-(1-methylpiperidin-4-ylidene)acetonitrile |
| InChI | InChI=1S/C8H12N2/c1-10-6-3-8(2-5-9)4-7-10/h2H,3-4,6-7H2,1H3 |
| InChI Key | OSFHBAOQNCPDEF-UHFFFAOYSA-N |
| MDL Number | MFCD13178818 |
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.1943 |
| SMILES | N#CC=C1CCN(C)CC1 |
| Synonyms | 2-(1-METHYLPIPERIDIN-4-YLIDENE)ACETONITRILE,
37123-91-4,
SCHEMBL124039,
OSFHBAOQNCPDEF-UHFFFAOYSA-N,
ZINC43559036,
AKOS010969493,
(1-Methylpiperid-4-ylidene)acetonitrile,
SC-70552,
V5555,
K-8227,
Acetonitrile, 2-(1-methyl-4-piperidinylidene)-,
C8H12N2,
Acetonitrile, (1-methyl-4-piperidinylidene)- (9CI),
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.198g/mol |
| Monoisotopic Mass | 136.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number