N,N-Dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
Basic information
- CAS
14716-59-7- Standard SMILES
CC(c1cc(-c2ccccc2)no1)[NH+](C)C.[Cl-]- InChIKey
NFQBUDFQIYPMLR-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1029409
Names & identifiers
- Preferred name
- N,N-Dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- dimethyl-[1-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
Names & synonyms
14716-59-7DTXSID80933049N,N-Dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1090502DTXCID0013617223-Phenyl-5-(1-(dimethylamino)ethyl)isoxazole hydrochlorideISOXAZOLE, 5-(1-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, HYDROCHLORIDE
Database identifiers
- CAS
14716-59-7- PubChem CID
- 26829
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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