Basic information
- CAS
6608-82-8- Standard SMILES
CC(CN(C)C)OCCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1- InChIKey
WLROGNWKSOTRSC-UHFFFAOYSA-N- Molecular formula
- C22H28ClN3O3S
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.1539906
Names & identifiers
- Preferred name
- 1-Propanamine, 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-
- IUPAC
- 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine
- English name
- 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]-N,N-dimethylpropylamine
- Molecular formula
- C22H28ClN3O3S
- Molecular weight
- 449.99
Names & synonyms
EINECS 229-558-51-Propanamine, 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-DTXSID908675881-Propanamine, 2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-RefChem:435863DTXCID108157636608-82-8SCHEMBL5959032WLROGNWKSOTRSC-UHFFFAOYSA-N2-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)-N,N-dimethylpropylamineNS000462822-(2-{4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}ethoxy)-N,N-dimethylpropan-1-amine
Show more names
2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]-N,N-dimethylpropylamine2-[2-[4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenylsulfonyl]ethoxy]-N,N-dimethyl-1-propanamine
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanamine, 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl- (6608-82-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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