Doxylamine hydrochloride
Basic information
- CAS
1049695-33-1- Standard SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.Cl- InChIKey
RZFPXBBIRUZEOV-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Doxylamine hydrochloride
- IUPAC
- N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;hydrochloride
Names & synonyms
Doxylamine hydrochlorideW2X05NGI9U1049695-33-1Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-, hydrochloride (1:1)UNII-W2X05NGI9UNIOSH/KH2378000KH23780000Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-, monohydrochlorideN,N-Dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine monohydrochloride
Database identifiers
- CAS
1049695-33-1- PubChem CID
- 3028232
- UNII
- W2X05NGI9U
Properties
Computed structural properties
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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