Research chemical
CAS Number: 68958-86-1
![Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-kappaN)bis(methylene)]]tetrakis[phosphonato-kappaO]](8-)]-, ammonium hydrogen (1:5:1), (OC-6-21)- molecular structure, CAS 68958-86-1](/structure-images/68958-86-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
172323
Exact Mass
577.049109
InChIKey
RJTJEKOEBGARPT-UHFFFAOYSA-L
IUPAC Name
pentaazanium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SMILES String
[H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-kappaN)bis(methylene)]]tetrakis[phosphonato-kappaO]](8-)]-, ammonium hydrogen (1:5:1), (OC-6-21)- is identified by CAS 68958-86-1, with molecular formula C6H33N7NiO12P4, molecular weight 577.96, InChIKey RJTJEKOEBGARPT-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
19
H-bond donors
20
Rotatable bonds
11
Ring count
0
Aromatic rings
0
Topological polar surface area
441.74 Ų
Computed LogP
-4.93
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal phosphine complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
Yes
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-kappaN)bis(methylene)]]tetrakis[phosphonato-kappaO]](8-)]-, ammonium hydrogen (1:5:1), (OC-6-21)- (CAS 68958-86-1) is maintained as a commercial cas reference with formula C6H33N7NiO12P4, molecular weight 577.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include phosphine-ligand motif, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.