N,N-Dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
Basic information
- CAS
952-29-4- Standard SMILES
C[NH+](C)CCc1cc(-c2ccccc2)no1.[Cl-]- InChIKey
LLJOIXGMUXMBCX-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1029409
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
Names & synonyms
952-29-4DTXSID90915073N,N-Dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1090523DTXCID7013440563-Phenyl-5-(2-(dimethylamino)ethyl)isoxazole hydrochloridedimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chlorideISOXAZOLE, 5-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, HYDROCHLORIDECID13716, LS-86676, 3-Phenyl-5-(2-(dimethylamino)ethyl)isoxazole hydrochloride, ISOXAZOLE, 5-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, HYDROCHLORIDE, 952-29-4
Database identifiers
- CAS
952-29-4- PubChem CID
- 13716
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
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Compound notes
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