Input interpretation
doxylamine | 3-benzoyl-2-pyridinecarboxylic acid
Chemical names and formulas
| doxylamine | 3-benzoyl-2-pyridinecarboxylic acid formula | C_17H_22N_2O | C_13H_9NO_3 Hill formula | C_17H_22N_2O | C_13H_9NO_3 name | doxylamine | 3-benzoyl-2-pyridinecarboxylic acid IUPAC name | N, N-dimethyl-2-(1-phenyl-1-pyridin-2-yl-ethoxy)ethanamine | 3-(oxo-phenylmethyl)-2-pyridinecarboxylic acid alternate names | 2-dimethylaminoethoxyphenyl-methyl-2-picoline | 3-(benzoyl)picolinic acid | 3-(benzoyl)pyridine-2-carboxylic acid | 3-phenylcarbonylpyridine-2-carboxylic acid mass fractions | C (carbon) 75.5% | H (hydrogen) 8.2% | N (nitrogen) 10.4% | O (oxygen) 5.92% | C (carbon) 68.7% | H (hydrogen) 3.99% | N (nitrogen) 6.16% | O (oxygen) 21.1%
Structure diagrams
| doxylamine | 3-benzoyl-2-pyridinecarboxylic acid vertex count | 20 | 17 edge count | 21 | 19 Schultz index | 3338 | 2132 Wiener index | 805 | 504 Hosoya index | 12564 | 3250 Balaban index | 1.996 | 1.966
3D structure
3D structure
Basic properties
| doxylamine | 3-benzoyl-2-pyridinecarboxylic acid molar mass | 270.38 g/mol | 227.22 g/mol phase | liquid (at STP) | solid (at STP) melting point | | 153 °C boiling point | 126 °C | solubility in water | slightly soluble |
Units
Hydrophobicity and permeability properties
| doxylamine experimental LogP hydrophobicity | 2.5 predicted LogP hydrophobicity | 2.9 predicted LogS | -2.7
Liquid properties
| doxylamine refractive index | 1.5804