| CAS Number | 146294-95-3 |
| Catalog Number | AG019ZD0(AGN-PC-0019QE) |
| Chemical Name | Methyl 2-[(3-nitropyridin-2-yl)amino]propanoate |
| IUPAC Name | methyl 2-[(3-nitropyridin-2-yl)amino]propanoate |
| InChI | InChI=1S/C9H11N3O4/c1-6(9(13)16-2)11-8-7(12(14)15)4-3-5-10-8/h3-6H,1-2H3,(H,10,11) |
| InChI Key | UQMSOGUSOHTFKN-UHFFFAOYSA-N |
| MDL Number | MFCD12189084 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | COC(C(NC1=C([N+]([O-])=O)C=CC=N1)C)=O |
| Synonyms | methyl 2-[(3-nitropyridin-2-yl)amino]propanoate,
146294-95-3,
methyl 2-((3-nitropyridin-2-yl)amino)propanoate,
SCHEMBL16563740,
UQMSOGUSOHTFKN-UHFFFAOYSA-N,
AKOS009547212,
MCULE-5614692921,
NE45854,
DA-44349,
FT-0705654,
Z1405388056,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number