AC1MIIEI
4-aminobutanoate;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate;nickel(2+)
Also Known As: Nickel gamma-aminobutyratopantothenate|Nickel, (4-aminobutanoato-N,O)(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato)-|4-aminobutanoate; 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate; nickel(2+)
CAS: 85625-89-4
| Molecular Formula | C13H24N2NiO7 |
|---|---|
| Molecular Weight | 378.0937 g/mol |
| LogP | -3.9053 |
| Topological Polar Surface Area | 175.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.0937 |
| Monoisotopic Mass | 378.0937 |
| Heavy Atoms | 23 |
| Complexity | 364.2322 |
Chemical Identifiers
| CAS Number | 85625-89-4 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.C(CC(=O)[O-])CN.[Ni+2] |
Product Overview
AC1MIIEI (CAS 85625-89-4), with molecular formula C13H24N2NiO7 and molecular weight 378.0937 g/mol. IUPAC: 4-aminobutanoate;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate;nickel(2+).
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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