| CAS Number | 912921-26-7 |
| Catalog Number | AG01E5S2(AGN-PC-0WP0YS) |
| Chemical Name | 4-Ethynyl-N-ethyl-1,8-napthalamide |
| IUPAC Name | 2-ethyl-6-ethynylbenzo[de]isoquinoline-1,3-dione |
| InChI | InChI=1S/C16H11NO2/c1-3-10-8-9-13-14-11(10)6-5-7-12(14)15(18)17(4-2)16(13)19/h1,5-9H,4H2,2H3 |
| InChI Key | AYGXEBXIFZUSPD-UHFFFAOYSA-N |
| MDL Number | MFCD30182351 |
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.2799 |
| SMILES | C(C)NC(=O)C1=CC=CC2=C(C=CC(=C12)C=O)C#C |
| Synonyms | 4-ethynyl-N-ethyl-1,8-naphthalimide,
4-ethynyl-n-ethyl-1,8-naphthalimide,
912921-26-7,
SCHEMBL1526815,
4-Ethynyl-N-ethyl-1,8-napthalamide,
AKOS027470266,
ZINC116438642,
2-Ethyl-6-ethynyl-1H-benz[de]isoquinoline,
2-Ethyl-6-ethynyl-1H-benzo[de]isoquinoline-1,3(2H)-dione,
2-Ethyl-6-ethynylbenzo[de]isoquinoline-1,3-dione,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.269g/mol |
| Monoisotopic Mass | 249.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number