5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride
Basic information
- CAS
7041-77-2- Standard SMILES
C[NH+](C)CCC(O)c1cc(-c2ccccc2)no1.[Cl-]- InChIKey
IZAHSHCAKIINTB-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O2
- Average molar mass
- 282.76 g/mol
- Monoisotopic mass
- 282.1135055
Names & identifiers
- Preferred name
- 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride
- IUPAC
- [3-hydroxy-3-(3-phenyl-1,2-oxazol-5-yl)propyl]-dimethylazanium chloride
Names & synonyms
7041-77-25-ISOXAZOLEMETHANOL, alpha-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, MONOHYDROCHLORIDERefChem:10730483-Phenyl-5-(1-hydroxy-3-dimethylaminopropyl)isoxazole hydrochlorideIsoxazole, 5-(3-dimethylamino-1-hydroxypropyl)-3-phenyl-, hydrochloride
Database identifiers
- CAS
7041-77-2- PubChem CID
- 23455
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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