| CAS Number | 259259-80-8 |
| Catalog Number | AG002R36(AGN-PC-0R1T8G) |
| Chemical Name | (1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato cobalt(II) |
| IUPAC Name | (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt |
| 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;/b27-23+,28-25+,33-15?,34-16?;/t31-,32-;/m0./s1 |
| InChI Key | YQMKZEIIMHVFTI-VURWZECESA-N |
| MDL Number | MFCD06797062 |
| Molecular Formula | C32H38CoN2O4 |
| Molecular Weight | 573.5883 |
| SMILES | CC1=O[Co+2]23[N](C(C4=C(C=C(C)C=C4C)C)C(C5=C(C=C(C)C=C5C)C)[N]3=C[C-]1C(C)=O)=C[C-](C(C)=O)C(C)=O2 |
| Synonyms | 259259-80-8,
(1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II),
(S,S)-AMAC,
(1S,2S)-N,N inverted exclamation marka-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato cobalt(II),
-N,N'-BIS -1,2-DIMESITYLETHYLENEDIAMINATOCOBALT,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 575.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 575.615g/mol |
| Monoisotopic Mass | 575.232g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number