Propiophenone, 2,2-dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-, hydrochloride
Basic information
- CAS
53207-38-8- Standard SMILES
CN(C)CC(C)(C)C(=O)c1ccc(S(C)(=O)=O)cc1.Cl- InChIKey
UBZSYQJIGPKFTO-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO3S
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1008924
Names & identifiers
- Preferred name
- Propiophenone, 2,2-dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-, hydrochloride
- IUPAC
- 3-(dimethylamino)-2,2-dimethyl-1-(4-methylsulfonylphenyl)propan-1-one;hydrochloride
Names & synonyms
2,2-Dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-propiophenone hydrochloride53207-38-81-(p-Methylsulfonylphenyl)-2,2-dimethyl-3-dimethylamino-1-propanone hydrochloridePropiophenone, 2,2-dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-, hydrochlorideRefChem:3752863-(Dimethylamino)-2,2-dimethyl-1-(4-(methylsulfonyl)phenyl)propan-1-one hydrochlorideDTXSID20967727UBZSYQJIGPKFTO-UHFFFAOYSA-N3-(Dimethylamino)-1-[4-(methanesulfonyl)phenyl]-2,2-dimethylpropan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
53207-38-8- PubChem CID
- 103757
- DTXSID
DTXSID20967727
Properties
Computed structural properties
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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