| CAS Number | 2059941-71-6 |
| Catalog Number | AG01C02J |
| Chemical Name | 3-methyl-1-(methylamino)cyclohexane-1-carbonitrile hydrochloride |
| IUPAC Name | 3-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride |
| InChI | InChI=1S/C9H16N2.ClH/c1-8-4-3-5-9(6-8,7-10)11-2;/h8,11H,3-6H2,1-2H3;1H |
| InChI Key | WUFBPYPMGNELER-UHFFFAOYSA-N |
| MDL Number | MFCD30535661 |
| Molecular Formula | C9H17ClN2 |
| Molecular Weight | 188.6977 |
| SMILES | Cl.CNC1(C#N)CC(C)CCC1 |
| Synonyms | 3-methyl-1-(methylamino)cyclohexane-1-carbonitrile hydrochloride,
2059941-71-6,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.108026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.7g/mol |
| Monoisotopic Mass | 188.108026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number