CAS
915358-85-9 Purity
≥98%
915358-85-9 Purity
≥98%
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Specification
The molecular formula is C9H17N3O3.
The molecular weight is 215.25 g/mol.
The IUPAC name is 1-butyl-2,3-dimethylimidazol-3-ium; nitrate.
The InChIKey is JJLAZVCVBALAEL-UHFFFAOYSA-N.
The canonical SMILES is CCCCN1C=C[N+](=C1C)C.[N+](=O)([O-])[O-].
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 3.
There are 3 rotatable bonds.
The topological polar surface area is 71.7 Å2.
Yes, it is a canonicalized compound.