| CAS Number | 469865-01-8 |
| Catalog Number | AG00IMD0(AGN-PC-0WQUJO) |
| Chemical Name | 10,10'-DImethyl-9,9'-biacridinium bis(monomethyl terephthalate) |
| IUPAC Name | 4-ethoxycarbonylbenzoate;10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium |
| InChI | InChI=1S/C28H22N2.2C10H10O4/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-18H,1-2H3;2*3-6H,2H2,1H3,(H,11,12)/q+2;;/p-2 |
| InChI Key | BPKQBHQDTWKKAB-UHFFFAOYSA-L |
| MDL Number | MFCD29472509 |
| Molecular Formula | C48H40N2O8 |
| Molecular Weight | 772.8398 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)[O-].CCOC(=O)C1=CC=C(C=C1)C(=O)[O-].C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C |
| Synonyms | 10,10'-dimethyl-9,9'-biacridinium bis(monomethyl terephthalate),
469865-01-8,
10,10'-Dimethyl-9,9'-biacridinium bis(monomethyl terephthalate),
MFCD29472509,
10,10'-Dimethyl-9,9'-biacridinium Bis(monomethyl Terephthalate) [for Chemiluminescence Research],
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 772.278g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 58 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 772.854g/mol |
| Monoisotopic Mass | 772.278g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number