| CAS Number | 212250-92-5 |
| Catalog Number | AG003BGP(AGN-PC-0QXT25) |
| Chemical Name | (1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II) |
| IUPAC Name | cobalt(2+);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate |
| InChI | InChI=1S/C42H44N2O4.Co/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;/h9-24,39-40,47-48H,1-8H3;/q;+2/p-2/b41-35-,42-36-,43-23?,44-24?;/t39-,40-;/m1./s1 |
| InChI Key | IVLZDUIPGQHPFO-KAUPXZLTSA-L |
| MDL Number | MFCD01321131 |
| Molecular Formula | C42H42CoN2O4 |
| Molecular Weight | 697.7271 |
| SMILES | CC1=O[Co+2]23[N](C(C4=CC=CC=C4)C(C5=CC=CC=C5)[N]3=C[C-]1C(C6=C(C=C(C)C=C6C)C)=O)=C[C-](C(C7=C(C=C(C)C=C7C)C)=O)C(C)=O2 |
| Synonyms | (1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II),
212250-92-5,
(R)-MPAC,
N,N'-Bis[2-(mesitoyl)-3-oxobutylidene]-(1R,2R)-1,2-diphenylethylenediaminato Cobalt(II),
B1844,
|
| Complexity | 1100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 697.248g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 697.741g/mol |
| Monoisotopic Mass | 697.248g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H351
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P202-P201-P280-P308+P313-P405
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number