| CAS Number | 68271-98-7 |
| Catalog Number | AG003OC9(AGN-PC-0WG3LT) |
| Chemical Name | Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide |
| IUPAC Name | [2-[4-[4-(2-azanidylidene-1-cyanoethenyl)phenyl]phenyl]-2-cyanoethenylidene]azanide;tetrabutylazanium |
| InChI | InChI=1S/C18H8N4.2C16H36N/c19-9-17(10-20)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18(11-21)12-22;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-8H;2*5-16H2,1-4H3/q-2;2*+1 |
| InChI Key | NJFQTNXYFOEFJU-UHFFFAOYSA-N |
| MDL Number | MFCD00213933 |
| Molecular Formula | C50H80N6 |
| Molecular Weight | 765.2104 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.N#C[C-](C#N)C1=CC=C(C=C1)C1=CC=C(C=C1)[C-](C#N)C#N |
| Synonyms | 68271-98-7,
Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethanide,
TCNDQ,
CTK8B2821,
DTXSID30659863,
ANW-41115,
MFCD00213933,
AKOS025295629,
TR-022833,
Bis-(tetra-N-butylammonium)tetracyanodiphenoquinodimethanide,
Bis(tetrabutylammonium) Tetracyanodiphenoquinodimethane Complex,
BIS(TETRA-N-BUTYLAMMONIUM) TETRACYANODIPHENOQUINODIMETHANIDE,
Bis(N,N,N-tributylbutan-1-aminium) [[1,1'-biphenyl]-4,4'-diylbis(2-cyanoethen-2-yl-1-ylidene)]bis(azanide),
B1466,
bis(tetrabutylammonium)tetracyanodiphenoquinodimethanide,
|
| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 764.644g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 765.232g/mol |
| Monoisotopic Mass | 764.644g/mol |
| Rotatable Bond Count | 27 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number