| CAS Number | 18958-57-1 |
| Catalog Number | AG003OCD(AGN-PC-0QJ2O3) |
| Chemical Name | BIS(TETRA-N-BUTYLAMMONIUM) BIS(MALEONITRILEDITHIOLATO) NICKEL COMPLEX |
| IUPAC Name | (Z)-1,2-dicyanoethene-1,2-dithiolate;nickel(2+);tetrabutylazanium |
| InChI | InChI=1S/2C16H36N.2C4H2N2S2.Ni/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*5-1-3(7)4(8)2-6;/h2*5-16H2,1-4H3;2*7-8H;/q2*+1;;;+2/p-4/b;;2*4-3-; |
| InChI Key | KFDRXQXGGQXFNP-DERJAXIWSA-J |
| MDL Number | MFCD00059041 |
| Molecular Formula | C24H40N5NiS4 |
| Molecular Weight | 585.5613 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.N#CC1=C(C#N)[SH-][Ni+2]2([SH-]C(C#N)=C(C#N)[SH-]2)[SH-]1 |
| Synonyms | 18958-57-1,
MFCD00059041,
Bis(tetrabutylammonium) Bis(maleonitriledithiolato)nickel(II) Complex,
14876-79-0,
Bis(tetrabutylammonium) bis(maleonitriledithiolato)nickel(II),
Bis(tetra-n-butylammonium) bis(maleonitriledithiolato) nickel complex,
KFDRXQXGGQXFNP-DERJAXIWSA-J,
CID11445800,
B1371,
IUPAC: (Z)-1,2-dicyanoethene-1,2-dithiolate; Nickel(+2) Cation; Tetrabutylazanium,
1-Butanaminium, N,N,N-tributyl-, bis[2,3-dimercapto-2-butenedinitrilato(2-)-S,S']nickelate(2-) (2:1),
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 822.405g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 823.991g/mol |
| Monoisotopic Mass | 822.405g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H331-H311-H315-H319-H334-H317-H350-H372
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P272-P260-P270-P202-P201-P271-P264-P280-P284-P308+P313-P337+P313-P305+P351+P338-P361+P364-P333+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
|
|
UN Code
|
UN 3439
|
Certificate of Analysis
Lot Number