| CAS Number | 721413-97-4 |
| Catalog Number | AG019HNF |
| Chemical Name | 4-{[4-(diethylamino)phenyl]methylidene}-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid |
| IUPAC Name | 4-[[4-(diethylamino)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid |
| InChI | InChI=1S/C26H28N2O2/c1-4-28(5-2)20-12-10-18(11-13-20)16-19-14-17(3)15-22-24(26(29)30)21-8-6-7-9-23(21)27-25(19)22/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,29,30) |
| InChI Key | XFVOSKATXDUXTO-UHFFFAOYSA-N |
| MDL Number | MFCD03949003 |
| Molecular Formula | C26H28N2O2 |
| Molecular Weight | 400.5127 |
| SMILES | CCN(c1ccc(cc1)C=C1CC(C)Cc2c1nc1ccccc1c2C(=O)O)CC |
| Synonyms | 4-{[4-(diethylamino)phenyl]methylidene}-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid,
721413-97-4,
AC1MYRTE,
CTK6E7295,
AKOS034382330,
MCULE-2376264552,
Z46107803,
4-[[4-(diethylamino)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid,
CID3836578,
4-(4-Diethylamino-benzylidene)-2-methyl-1,2,3,4-tetrahydro-acridine-9-carboxylic acid,
4-[(4-diethylaminophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic Acid,
|
| Complexity | 621 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.522g/mol |
| Monoisotopic Mass | 400.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number