1-[2-(dibutylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(dibutylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[2-(dibutylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
Compound ID: | 0134-0070 |
Compound Name: | 1-[2-(dibutylamino)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
Molecular Weight: | 327.85 |
Molecular Formula: | C16 H26 N3 O2 |
Salt: | Cl- |
Smiles: | CCCCN(CCCC)C(C[n+]1cccc(/C=N/O)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.0224 |
logD: | 3.0212 |
logSw: | -2.7937 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.123 |
InChI Key: | RCTGILCVQLZICR-SFQUDFHCSA-O |