| CAS Number | 861333-02-0 |
| Catalog Number | AG01B8EH |
| Chemical Name | N'-(3-Aminophenyl)ethanediamide |
| IUPAC Name | N'-(3-aminophenyl)oxamide |
| InChI | InChI=1S/C8H9N3O2/c9-5-2-1-3-6(4-5)11-8(13)7(10)12/h1-4H,9H2,(H2,10,12)(H,11,13) |
| InChI Key | JAPHACUWYUPYGE-UHFFFAOYSA-N |
| MDL Number | MFCD20713267 |
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.1760 |
| SMILES | NC(C(NC1=CC(N)=CC=C1)=O)=O |
| Synonyms | N'-(3-aminophenyl)ethanediamide,
861333-02-0,
ZINC238620176,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.179g/mol |
| Monoisotopic Mass | 179.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number