| CAS Number | 851963-03-6 |
| Catalog Number | AG00G5RK(AGN-PC-0UYO20) |
| Chemical Name | n-Hexyl 7-diethylaminocoumarin-3-carboxylate |
| IUPAC Name | hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate |
| InChI | InChI=1S/C20H27NO4/c1-4-7-8-9-12-24-19(22)17-13-15-10-11-16(21(5-2)6-3)14-18(15)25-20(17)23/h10-11,13-14H,4-9,12H2,1-3H3 |
| InChI Key | TYEFUKSNTLMNBV-UHFFFAOYSA-N |
| MDL Number | MFCD06797113 |
| Molecular Formula | C20H27NO4 |
| Molecular Weight | 345.4327 |
| SMILES | CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O |
| Synonyms | Hexyl 7-(Diethylamino)coumarin-3-carboxylate,
851963-03-6,
Hexyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate,
ACMC-20aj5f,
SCHEMBL13432119,
CTK6E1141,
MFCD06797113,
ZINC72099095,
TC-164490,
HEXYL 7-DIETHYLAMINOCOUMARIN-3-CARBOXYLATE,
7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester,
7-Diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid hexyl ester,
H1145,
hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.439g/mol |
| Monoisotopic Mass | 345.194g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number