| CAS Number | 361346-80-7 |
| Catalog Number | AG003BGO(AGN-PC-0RBNI0) |
| Chemical Name | (1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II) |
| IUPAC Name | (E)-3-[[(1R,2R)-2-[[(E)-2-acetyl-3-oxidobut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-oxopent-2-en-2-olate;cobalt(2+) |
| InChI | InChI=1S/C32H40N2O4.Co/c1-17-11-19(3)29(20(4)12-17)31(33-15-27(23(7)35)24(8)36)32(34-16-28(25(9)37)26(10)38)30-21(5)13-18(2)14-22(30)6;/h11-16,31-32,35,37H,1-10H3;/q;+2/p-2/b27-23+,28-25+,33-15?,34-16?;/t31-,32-;/m1./s1 |
| InChI Key | PHCQQLMRNZRDJA-SGIDGJHMSA-L |
| MDL Number | MFCD06797061 |
| Molecular Formula | C32H38CoN2O4 |
| Molecular Weight | 573.5883 |
| SMILES | CC1=CC(=C(C(=C1)C)[C@@H](N=C/C(=C([O-])/C)/C(=O)C)[C@H](N=C/C(=C([O-])/C)/C(=O)C)C2=C(C=C(C=C2C)C)C)C.[Co+2] |
| Synonyms | 361346-80-7,
(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II),
(R)-AMAC,
B2314,
(1R,2R)-N,N'-BIS(2-ACETYL-3-OXO-2-BUTENYLIDENE)- 1,2-DIMESITYLETHYLENEDIAMINATO COBALT (II),
CID10120770,
CID 11599487,
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| Complexity | 846 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 573.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 573.599g/mol |
| Monoisotopic Mass | 573.216g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number