Basic information
- CAS
140661-29-6- Standard SMILES
CCO.NCCNCc1ncc(Br)c(C([O-])=NCCc2cnc[nH]2)n1.[Cl-].[Cl-].[Co+3]- InChIKey
QGMJAKLVDZYEMR-UHFFFAOYSA-K- Molecular formula
- C15H23BrCl2CoN7O2
- Average molar mass
- 543.1 g/mol
- Monoisotopic mass
- 540.98056
Names & identifiers
- Preferred name
- 2-[(2-aminoethylamino)methyl]-5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-4-carboximidate;cobalt(3+);ethanol;dichloride
- IUPAC
- 2-[(2-aminoethylamino)methyl]-5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-4-carboximidate;cobalt(3+);ethanol;dichloride
Names & synonyms
140661-29-6
Database identifiers
- CAS
140661-29-6- PubChem CID
- 178561
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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