Bis(2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-4-methyl-6-(3-methylsulfanylpropyliminomethyl)phenol);hexakis(ethane-1,1-diol);nickel;bis(nickel(2+));dihydrate
Basic information
- CAS
7226-40-6- Standard SMILES
CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CCN(CCN(C)C)Cc1cc(C)cc(C=NCCCSC)c1O.CCN(CCN(C)C)Cc1cc(C)cc(C=NCCCSC)c1O.O.O.[Ni+2].[Ni+2].[Ni].[Ni].[Ni]- InChIKey
AWVGUEAGTUYQFH-UHFFFAOYSA-N- Molecular formula
- C50H106N6Ni5O16S2+4
- Average molar mass
- 1,405 g/mol
- Monoisotopic mass
- 1,400.38738
Names & identifiers
- Preferred name
- Bis(2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-4-methyl-6-(3-methylsulfanylpropyliminomethyl)phenol);hexakis(ethane-1,1-diol);nickel;bis(nickel(2+));dihydrate
- IUPAC
- bis(2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-4-methyl-6-(3-methylsulfanylpropyliminomethyl)phenol);hexakis(ethane-1,1-diol);nickel;bis(nickel(2+));dihydrate
Names & synonyms
7226-40-6DTXSID00425799
Database identifiers
- CAS
7226-40-6- PubChem CID
- 136145264
Properties
Computed structural properties
- Topological polar surface area
- 374 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 22
- Heavy atoms
- 79
- Formal charge
- 4
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…