| CAS Number | 1339147-04-4 |
| Catalog Number | AG01BFQ6(AGN-PC-0WOWGK) |
| Chemical Name | 2-methyl-4-(4-methylphenyl)pyrrolidine |
| IUPAC Name | 2-methyl-4-(4-methylphenyl)pyrrolidine |
| InChI | InChI=1S/C12H17N/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3-6,10,12-13H,7-8H2,1-2H3 |
| InChI Key | XVLMYNSFQWWMQV-UHFFFAOYSA-N |
| MDL Number | MFCD20286703 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | CC1NCC(C2=CC=C(C)C=C2)C1 |
| Synonyms | 2-methyl-4-(4-methylphenyl)pyrrolidine,
1339147-04-4,
AKOS013604317,
NE20957,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number