| CAS Number | 82111-06-6 |
| Catalog Number | AG004WGE(AGN-PC-05XX18) |
| Chemical Name | 3-Methyl-5-(1-methylpyrrolidin-2-yl)pyridine |
| IUPAC Name | 3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine |
| InChI | InChI=1S/C11H16N2/c1-9-6-10(8-12-7-9)11-4-3-5-13(11)2/h6-8,11H,3-5H2,1-2H3 |
| InChI Key | WPPLPODBERCBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD04039614 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| SMILES | CN1CCCC1c1cncc(c1)C |
| Synonyms | 82111-06-6,
CHEMBL364003,
Pyridine,3-methyl-5-(1-methyl-2-pyrrolidinyl)-,
3-METHYL-5-(1-METHYL-2-PYRROLIDINYL)PYRIDINE,
(+/-)-5-Methylnicotine,
3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine,
rac-5-Methylnicotine,
AC1NETMF,
SCHEMBL159159,
CTK5E9413,
DTXSID30404991,
AKOS030255807,
FT-0671988,
( inverted exclamation markA)-5-Methylnicotine,
3-Methyl-5-(1-methylpyrrolidine-2-yl)pyridine,
CID4622927,
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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 | 176.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.263g/mol |
| Monoisotopic Mass | 176.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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