RefChem:854073

triazanium;hydron;nickel(2+);1-phosphonato-N,N-bis(phosphonatomethyl)methanamine

Also Known As: Triammonium nickelous nitrilotri(methylene phosphonate)|Nickelate(4-), ((((nitrilo-kappaN)tris(methylene))tris(phosphonato-kappaO))(6-))-, triammonium hydrogen, (T-4)-|Triammonium hydrogen [[[nitrilotris(methylene)]tris[phosphonato]](6-)]nickelate(4-)|Nickelate(4-), ((P,P'-((nitrilo-kappaN)tris(methylene))tris(phosphonato-kappaO))(6-))-, ammonium hydrogen (1:3:1), (T-4)-|Triammonium hydrogen (((nitrilotris(methylene))tris(phosphonato))(6-))nickelate(4-)|Nickelate(4-), [[[(nitrilo-.kappa.N)tris(methylene)]tris[phosphonato-.kappa.O]](6-)]-, triammonium hydrogen, (T-4)-|Triammonium hydrogen[[[nitrilotris(methylene)]tris[phosphonato]](6-)]nickelate(4-)|triazanium; hydron; nickel(2+); 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine|267-961-8|Nickelate(4-), [[[nitrilotris(methylene)]tris[phosphonato]](6-)-N,OP,OP',OP'']-, triammonium hydrogen, (T-4)-|Nickelate(4-), [[[nitrilotris(methylene)]tris[phosphonato]](6-)N,O,O'',O'''']-, triammonium hydrogen, (T-4)-|Nickelate(4-), [[P,P'-[(nitrilo-.kappa.N)tris(methylene)]tris[phosphonato-.kappa.O]](6-)]-, ammonium hydrogen (1:3:1), (T-4)-|Nickelate(4-), [[P,P'-[(nitrilo-kappaN)tris(methylene)]tris[phosphonato-kappaO]](6-)]-, ammonium hydrogen (1:3:1), (T-4)-

Molecular Formula	C3H19N4NiO9P3
Molecular Weight	405.97183 g/mol
LogP	-3.8594
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	405.97183
Monoisotopic Mass	405.97183
Heavy Atoms	20
Complexity	271.0

Chemical Identifiers

CAS Number	67968-22-3
SMILES	[H+].C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[Ni+2]
InChIKey	FXFFRFVAMAJTLR-UHFFFAOYSA-L