| CAS Number | 953890-89-6 |
| Catalog Number | AG019WGJ(AGN-PC-0WOTWA) |
| Chemical Name | 2-[(5-cyanopyridin-2-yl)(methyl)amino]acetic acid |
| IUPAC Name | 2-[(5-cyanopyridin-2-yl)-methylamino]acetic acid |
| InChI | InChI=1S/C9H9N3O2/c1-12(6-9(13)14)8-3-2-7(4-10)5-11-8/h2-3,5H,6H2,1H3,(H,13,14) |
| InChI Key | CGNXWRMXAFYYOO-UHFFFAOYSA-N |
| MDL Number | MFCD09730327 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CN(C1=NC=C(C#N)C=C1)CC(O)=O |
| Synonyms | 2-[(5-cyanopyridin-2-yl)(methyl)amino]acetic acid,
953890-89-6,
N-(5-Cyanopyridin-2-yl)-N-methylglycine,
AC1Q3XA0,
CTK7C8225,
ZINC22169487,
AKOS000141489,
MCULE-6565951582,
NE59334,
EN300-51891,
Z744843528,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number