| CAS Number | 19333-63-2 |
| Catalog Number | AG003UU3(AGN-PC-0QM0KR) |
| Chemical Name | TNBT Diformazan |
| IUPAC Name | N-[2-methoxy-4-[3-methoxy-4-[[(Z)-N-(4-nitroanilino)-C-(4-nitrophenyl)carbonimidoyl]diazenyl]phenyl]phenyl]imino-4-nitro-N'-(4-nitroanilino)benzenecarboximidamide |
| InChI | InChI=1S/C40H30N12O10/c1-61-37-23-27(7-21-35(37)43-47-39(25-3-13-31(14-4-25)49(53)54)45-41-29-9-17-33(18-10-29)51(57)58)28-8-22-36(38(24-28)62-2)44-48-40(26-5-15-32(16-6-26)50(55)56)46-42-30-11-19-34(20-12-30)52(59)60/h3-24,41-42H,1-2H3/b45-39-,46-40-,47-43?,48-44? |
| InChI Key | SDKSRZQMARNUEW-DBPDIXJWSA-N |
| MDL Number | MFCD00059831 |
| Molecular Formula | C40H30N12O10 |
| Molecular Weight | 838.7406 |
| SMILES | COc1cc(ccc1/N=N/C(=N/Nc1ccc(cc1)N(=O)=O)/c1ccc(cc1)N(=O)=O)c1ccc(c(c1)OC)/N=N/C(=N/Nc1ccc(cc1)N(=O)=O)/c1ccc(cc1)N(=O)=O |
| Synonyms | TNBT Diformazan,
19333-63-2,
tnbt-diformazan,
MFCD00059831,
Tetranitro Blue Tetrazolium Diformazan,
B0282,
1,1'-(3,3'-Dimethoxy-4,4'-diphenylene)bis-3,5-di(p-nitrophenyl)diformazan,
|
| Complexity | 1500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 838.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 838.754g/mol |
| Monoisotopic Mass | 838.221g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 300A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number