| CAS Number | 1192590-89-8 |
| Catalog Number | AG019EIR |
| Chemical Name | TAMRA azide, 6-isomer |
| IUPAC Name | 4-(3-azidopropylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate |
| InChI | InChI=1S/C28H28N6O4/c1-33(2)18-7-10-21-24(15-18)38-25-16-19(34(3)4)8-11-22(25)26(21)23-14-17(6-9-20(23)28(36)37)27(35)30-12-5-13-31-32-29/h6-11,14-16H,5,12-13H2,1-4H3,(H-,30,35,36,37) |
| InChI Key | LCCOWUGYZJZMIT-UHFFFAOYSA-N |
| MDL Number | MFCD29912896 |
| Molecular Formula | C28H28N6O4 |
| Molecular Weight | 512.5597 |
| SMILES | [N-]=[N+]=NCCCNC(=O)c1ccc(c(c1)c1c2-c(oc3c1ccc(c3)N(C)C)cc(=[N+](C)C)cc2)C(=O)[O-] |
| Synonyms | 6-TAMRA azide,
TAMRA azide, 6-isomer,
5-TAMRA-Azide min. 95 %,
MFCD18426598,
BP-23914,
1192590-89-8,
|
| Complexity | 1060 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.57g/mol |
| Monoisotopic Mass | 512.217g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 99.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number