Basic information
- CAS
122019-28-7- Standard SMILES
NCCNCc1ncc(Br)c(C(=O)[N-]CCc2cnc[nH]2)n1.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3]- InChIKey
NNGKSLPXQWOYDC-UHFFFAOYSA-M- Molecular formula
- C13H19BrCoN9O8
- Average molar mass
- 568.18 g/mol
- Monoisotopic mass
- 566.98719
Names & identifiers
- Preferred name
- (2-(((2-Aminoethyl)amino)methyl)-5-bromo-N-(2-(1H-imidazol-4-yl)ethyl)-4-pyrimidinecarboxamidato)aqua-, (OC-6-63)-cobalt(2+) dinitrate
- IUPAC
- [2-[(2-aminoethylamino)methyl]-5-bromopyrimidine-4-carbonyl]-[2-(1H-imidazol-5-yl)ethyl]azanide;cobalt(3+);dinitrate;hydrate
Names & synonyms
122019-28-7(2-(((2-Aminoethyl)amino)methyl)-5-bromo-N-(2-(1H-imidazol-4-yl)ethyl)-4-pyrimidinecarboxamidato)aqua-, (OC-6-63)-cobalt(2+) dinitrate(2-((2-(2-Aminoethyl)amino)methyl)-5-bromo-N-(2-(1H-imidazol-4-yl)ethyl)-4-pyrimidinecarboxamidato)aquacobalt(2+) dinitrate[2-[(2-aminoethylamino)methyl]-5-bromopyrimidine-4-carbonyl]-[2-(1H-imidazol-5-yl)ethyl]azanide;cobalt(3+);dinitrate;hydrate
Database identifiers
- CAS
122019-28-7- PubChem CID
- 147698
- DTXSID
DTXSID60153480
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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