| CAS Number | 817638-67-8 |
| Catalog Number | AG00GAH6(AGN-PC-0OILU6) |
| Chemical Name | 3-amino-7-(diethylamino)-2H-chromen-2-one |
| IUPAC Name | 3-amino-7-(diethylamino)chromen-2-one |
| InChI | InChI=1S/C13H16N2O2/c1-3-15(4-2)10-6-5-9-7-11(14)13(16)17-12(9)8-10/h5-8H,3-4,14H2,1-2H3 |
| InChI Key | HIVZDMLCTCWNFM-UHFFFAOYSA-N |
| MDL Number | MFCD00633139 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | CCN(c1ccc2c(c1)oc(=O)c(c2)N)CC |
| Synonyms | 3-amino-7-diethylaminocoumarin,
3-amino-7-(diethylamino)-2H-chromen-2-one,
SCHEMBL3546791,
7-Diethylamino-3-amino coumarin,
7-(Diethylamino)-3-aminocoumarin,
HIVZDMLCTCWNFM-UHFFFAOYSA-N,
ZINC142881783,
BP-22257,
OR323300,
DB-094164,
J3.511.584F,
817638-67-8,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.28g/mol |
| Monoisotopic Mass | 232.121178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number