| CAS Number | 1798775-41-3 |
| Catalog Number | AG01BFQZ |
| Chemical Name | 2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid hydrochloride |
| IUPAC Name | 2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-9-3-5-10(6-4-9)11-7-13(2,12(15)16)14-8-11;/h3-6,11,14H,7-8H2,1-2H3,(H,15,16);1H |
| InChI Key | IQUGFHOKIOITQF-UHFFFAOYSA-N |
| MDL Number | MFCD28118690 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.CC1=CC=C(C2CC(C(O)=O)(C)NC2)C=C1 |
| Synonyms | 2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid hydrochloride,
1798775-41-3,
AKOS026431550,
Z1901071886,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number