| CAS Number | 1019452-29-9 |
| Catalog Number | AG01A9M8 |
| Chemical Name | 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}pyridine-3-carboxylic acid |
| IUPAC Name | 2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H19N3O2/c1-2-16-8-4-5-10(16)9-15-12-11(13(17)18)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,15)(H,17,18) |
| InChI Key | IOSWCAYUTZUINK-UHFFFAOYSA-N |
| MDL Number | MFCD11523654 |
| Molecular Formula | C13H19N3O2 |
| Molecular Weight | 249.3089 |
| SMILES | CCN1C(CNC2=C(C(O)=O)C=CC=N2)CCC1 |
| Synonyms | 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}pyridine-3-carboxylic acid,
1019452-29-9,
AC1Q315F,
AKOS000214540,
AKOS017270654,
MCULE-8193700024,
NE40137,
EN300-65514,
Z71178918,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.314g/mol |
| Monoisotopic Mass | 249.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number