| CAS Number | 1236261-54-3 |
| Catalog Number | AG01B8S0(AGN-PC-0WC59Y) |
| Chemical Name | N-((Tetrahydro-2H-pyran-4-yl)methyl)pyrrolidine-2-carboxamide hydrochloride |
| IUPAC Name | N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C11H20N2O2.ClH/c14-11(10-2-1-5-12-10)13-8-9-3-6-15-7-4-9;/h9-10,12H,1-8H2,(H,13,14);1H |
| InChI Key | DPVOKMNMKWDWGU-UHFFFAOYSA-N |
| MDL Number | MFCD13562871 |
| Molecular Formula | C11H21ClN2O2 |
| Molecular Weight | 248.7496 |
| SMILES | Cl.O=C(C1NCCC1)NCC1CCOCC1 |
| Synonyms | 1236261-54-3,
N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide hydrochloride,
N-(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)-2-PYRROLIDINECARBOXAMIDE HYDROCHLORIDE,
N-((Tetrahydro-2H-pyran-4-yl)methyl)pyrrolidine-2-carboxamide hydrochloride,
CTK7F9379,
AKOS015848834,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.751g/mol |
| Monoisotopic Mass | 248.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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