| CAS Number | 1247450-79-8 |
| Catalog Number | AG019YM6(AGN-PC-0WO163) |
| Chemical Name | 3-Methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile |
| IUPAC Name | 3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile |
| InChI | InChI=1S/C13H16N2/c1-10-5-6-15(9-10)13-4-3-12(8-14)7-11(13)2/h3-4,7,10H,5-6,9H2,1-2H3 |
| InChI Key | NARAHNAVWNUYDQ-UHFFFAOYSA-N |
| MDL Number | MFCD14601333 |
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.2795 |
| SMILES | CC1CN(C2=C(C)C=C(C#N)C=C2)CC1 |
| Synonyms | 3-methyl-4-(3-methylpyrrolidin-1-yl)benzonitrile,
1247450-79-8,
AKOS010476246,
MCULE-8640766906,
NE30413,
EN300-102082,
Z1357827222,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.285g/mol |
| Monoisotopic Mass | 200.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number