| CAS Number | 1420800-13-0 |
| Catalog Number | AG009X8D(AGN-PC-0WAAJK) |
| Chemical Name | 4-Methyl-1-(methylamino)cyclohexane-1-carbonitrile HCl |
| IUPAC Name | 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride |
| InChI | InChI=1S/C9H16N2.ClH/c1-8-3-5-9(7-10,11-2)6-4-8;/h8,11H,3-6H2,1-2H3;1H |
| InChI Key | FAVTXUAVYBTLCO-UHFFFAOYSA-N |
| MDL Number | MFCD22689114 |
| Molecular Formula | C9H17ClN2 |
| Molecular Weight | 188.6977 |
| SMILES | Cl.CNC1(CCC(C)CC1)C#N |
| Synonyms | 1420800-13-0,
4-METHYL-1-(METHYLAMINO)CYCLOHEXANE-1-CARBONITRILE HCL,
4-Methyl-1-(methylamino)cyclohexanecarbonitrile hydrochloride,
KM4061,
V3138,
C9H17ClN2,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.699g/mol |
| Monoisotopic Mass | 188.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number