Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide
Basic information
- CAS
77985-00-3- Standard SMILES
C[N+](C)(CCO)CC(=O)c1ccc(-c2ccccc2)cc1.[Br-]- InChIKey
QSWIBFIOVMXNHP-UHFFFAOYSA-M- Molecular formula
- C18H22BrNO2
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.08339
Names & identifiers
- Preferred name
- Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide
- IUPAC
- 2-hydroxyethyl-dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]azanium bromide
- English name
- 2-hydroxyethyl-dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]azanium bromide
- Molecular formula
- C18H22BrNO2
- Molecular weight
- 0
Names & synonyms
77985-00-3(4-Biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)ammonium bromideAMMONIUM, (4-BIPHENYLCARBONYLMETHYL)DIMETHYL(2-HYDROXYETHYL)-, BROMIDERefChem:318909DTXSID409992222-([1,1'-Biphenyl]-4-yl)-N-(2-hydroxyethyl)-N,N-dimethyl-2-oxoethan-1-aminium bromide2-hydroxyethyl-dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]azanium bromide
Database identifiers
- CAS
77985-00-3- PubChem CID
- 54008
- DTXSID
DTXSID40999222
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 2500 mg/kg JPETAB 115,127,1955
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ipr-mus: 2500 mg/kg JPETAB 115,127,1955
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Related reactions
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Compound notes
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