| CAS Number | 1423025-10-8 |
| Catalog Number | AG01A2ZZ |
| Chemical Name | N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide hydrochloride |
| IUPAC Name | N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C13H18N2O.ClH/c1-10-5-2-3-6-11(10)9-15-13(16)12-7-4-8-14-12;/h2-3,5-6,12,14H,4,7-9H2,1H3,(H,15,16);1H |
| InChI Key | PXQGHHAOSFXDFZ-UHFFFAOYSA-N |
| MDL Number | MFCD22628437 |
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.7558 |
| SMILES | Cl.CC1=C(CNC(C2NCCC2)=O)C=CC=C1 |
| Synonyms | N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide hydrochloride,
1423025-10-8,
AKOS025569120,
NE59208,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.758g/mol |
| Monoisotopic Mass | 254.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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