| CAS Number | 91563-34-7 |
| Catalog Number | AG01AJU7(AGN-PC-0WO68I) |
| Chemical Name | 4-(4-Methoxyphenyl)-2-methylpyrrolidine |
| IUPAC Name | 4-(4-methoxyphenyl)-2-methylpyrrolidine |
| InChI | InChI=1S/C12H17NO/c1-9-7-11(8-13-9)10-3-5-12(14-2)6-4-10/h3-6,9,11,13H,7-8H2,1-2H3 |
| InChI Key | QVGZCXWSVLIGDZ-UHFFFAOYSA-N |
| MDL Number | MFCD19686406 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=CC=C(C2CC(C)NC2)C=C1 |
| Synonyms | 4-(4-methoxyphenyl)-2-methylpyrrolidine,
91563-34-7,
AKOS013584224,
NE32463,
EN300-81929,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number