| CAS Number | 1593590-12-5 |
| Catalog Number | AG01DVQ8 |
| Chemical Name | N-(4-aminophenyl)-1,3-benzodioxole-5-carboxamide |
| IUPAC Name | N-(4-aminophenyl)-1,3-benzodioxole-5-carboxamide |
| InChI | InChI=1S/C14H12N2O3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8,15H2,(H,16,17) |
| InChI Key | NFGHWVUTZLBVJE-UHFFFAOYSA-N |
| MDL Number | MFCD09047637 |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.2567 |
| SMILES | NC1=CC=C(NC(C2=CC3=C(OCO3)C=C2)=O)C=C1 |
| Synonyms | CTK7D7662,
AKOS000131482,
N-(4-AMINOPHENYL)-1,3-DIOXAINDANE-5-CARBOXAMIDE,
N-(4-AMINOPHENYL)-1,3-BENZODIOXOLE-5-CARBOXAMIDE,
1593590-12-5,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.261g/mol |
| Monoisotopic Mass | 256.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number