| CAS Number | 847654-17-5 |
| Catalog Number | AG003CRP(AGN-PC-0UTKMP) |
| Chemical Name | N-[Alpha-[2-(Piperidinoacetamido)Phenyl]Benzylidene]Glycinato]Nickel |
| IUPAC Name | nickel(2+);2-[[[2-[(1-oxido-2-piperidin-1-ylethylidene)amino]phenyl]-phenylmethylidene]amino]acetate |
| InChI | InChI=1S/C22H25N3O3.Ni/c26-20(16-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(23-15-21(27)28)17-9-3-1-4-10-17;/h1,3-6,9-12H,2,7-8,13-16H2,(H,24,26)(H,27,28);/q;+2/p-2 |
| InChI Key | WUBYDZLSGCSGEK-UHFFFAOYSA-L |
| MDL Number | MFCD10566925 |
| Molecular Formula | C22H23N3NiO3 |
| Molecular Weight | 436.1297 |
| SMILES | O=C1[N-]2[Ni+2]([N](CC3=O)=C(C4=CC=CC=C4)C5=CC=CC=C25)([O-]3)[N]6(CCCCC6)C1 |
| Synonyms | 847654-17-5,
[N-[alpha-[2-(Piperidinoacetamido)phenyl]benzylidene]glycinato]nickel,
DTXSID50649403,
P1737,
[(Piperidinoacetylimino)(1,2-phenylene)(1-phenyl-4-oxo-2-aza-1-butene-1,4-diyl)oxy] nickel(II),
Nickel(2+) {(E)-[(2-{(Z)-[1-oxidanidyl-2-(piperidin-1-yl)ethylidene]amino}phenyl)(phenyl)methylidene]amino}acetate,
|
| Complexity | 558 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.137g/mol |
| Monoisotopic Mass | 435.109g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H372-H317-H334-H350
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number