| CAS Number | 1094866-00-8 |
| Catalog Number | AG01A8QE(AGN-PC-0WO4XG) |
| Chemical Name | 6-[ethyl(propyl)amino]pyridine-3-carboxylic acid |
| IUPAC Name | 6-[ethyl(propyl)amino]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H16N2O2/c1-3-7-13(4-2)10-6-5-9(8-12-10)11(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15) |
| InChI Key | BODZUNAZEAVNQF-UHFFFAOYSA-N |
| MDL Number | MFCD11626108 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CCCN(C1=NC=C(C(O)=O)C=C1)CC |
| Synonyms | 6-[ethyl(propyl)amino]pyridine-3-carboxylic acid,
1094866-00-8,
AC1Q2XNW,
ZINC37095369,
AKOS008127082,
MCULE-3110154224,
NE22278,
EN300-62304,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number