| CAS Number | 101540-79-8 |
| Catalog Number | AG0004R0(AGN-PC-054HA5) |
| Chemical Name | (+/-)-6-Methylnicotine (>90%) |
| IUPAC Name | 5-methyl-2-(1-methylpyrrolidin-2-yl)pyridine |
| InChI | InChI=1S/C11H16N2/c1-9-5-6-10(12-8-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3 |
| InChI Key | HHULDGOGAKFHFK-UHFFFAOYSA-N |
| MDL Number | MFCD04039615 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| SMILES | CN1CCC[C@H]1c2ccc(C)nc2 |
| Synonyms | 101540-79-8,
Pyridine,2-methyl-5-(1-methyl-2-pyrrolidinyl)-,
ACMC-20m4l9,
SCHEMBL17888372,
CTK3J9880,
DTXSID70699006,
AKOS030255812,
5-methyl-2-(1-methylpyrrolidin-2-yl)pyridine,
3-METHYL-6-(1-METHYL-2-PYRROLIDINYL)PYRIDINE,
(+/-)-6-METHYLNICOTINE,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.131349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.26g/mol |
| Monoisotopic Mass | 176.131349g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number