AG00IMKL

Name: 1-Butanaminium, N,N,N-tributyl-,bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']nickelate(1-)OTHER CA INDEX NAMES:Nickelate(1-), bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']-,N,N,N-tributyl-1-butanaminium
Brand: Angene Chemical
SKU: AG00IMKL

87314-12-3 | 1-Butanaminium, N,N,N-tributyl-,bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']nickelate(1-)OTHER CA INDEX NAMES:Nickelate(1-), bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']-,N,N,N-tributyl-1-butanaminium

Chemical structure of 1-Butanaminium, N,N,N-tributyl-,bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']nickelate(1-)OTHER CA INDEX NAMES:Nickelate(1-), bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']-,N,N,N-tributyl-1-butanaminium, CAS 87314-12-3

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CAS Number	87314-12-3
Catalog Number	AG00IMKL(AGN-PC-0VC7MS)
Chemical Name	1-Butanaminium, N,N,N-tributyl-,bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']nickelate(1-)OTHER CA INDEX NAMES:Nickelate(1-), bis[3,4,6-trichloro-1,2-benzenedithiolato(2-)-kS,kS']-,N,N,N-tributyl-1-butanaminium
IUPAC Name	nickel(3+);tetrabutylazanium;3,4,6-trichlorobenzene-1,2-dithiolate
InChI	InChI=1S/C16H36N.2C6H3Cl3S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;27-2-1-3(8)5(10)6(11)4(2)9;/h5-16H2,1-4H3;21,10-11H;/q+1;;;+3/p-4
InChI Key	WIBIOFAUOGMVAE-UHFFFAOYSA-J
MDL Number	MFCD12022529
Molecular Formula	C28H38Cl6NNiS4
Molecular Weight	788.2794
SMILES	[Ni+3].[S-]C1=C([S-])C(Cl)=C(Cl)C=C1Cl.[S-]C1=C([S-])C(Cl)=C(Cl)C=C1Cl.CCCC[N+](CCCC)(CCCC)CCCC
Synonyms	87314-12-3, Tetrabutylammonium Bis(3,4,6-trichloro-1,2-benzenedithiolato)nickelate, MFCD12022529, Tetrabutylammonium bis(3,4,6-trichloro-1,2-benzene-dithiolato)nickelate, Tetrabutylammonium Bis(3,4,6-trichloro-1,2-benzenedithiolato)nickel(III) Complex, T3205,

Complexity	442
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	785.934g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	788.252g/mol
Monoisotopic Mass	783.937g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited