Basic information
- CAS
67057-95-8- Standard SMILES
COc1ccc(S(=O)(=O)CC[NH+](C)C)cc1.[Cl-]- InChIKey
ZYQNWOIWNMBSSL-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3S
- Average molar mass
- 279.78 g/mol
- Monoisotopic mass
- 279.0695923
Names & identifiers
- Preferred name
- 2-(4-Methoxybenzene-1-sulfonyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 2-(4-methoxyphenyl)sulfonylethyl-dimethylazanium chloride
Names & synonyms
67057-95-8DTXSID009860972-(4-Methoxybenzene-1-sulfonyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)RefChem:1061263DTXCID001413284N,N-Dimethyl-2-(4-methoxyphenylsulfonyl)ethylamine hydrochlorideETHYLAMINE, N,N-DIMETHYL-2-(4-METHOXYPHENYLSULFONYL)-, HYDROCHLORIDE
Database identifiers
- CAS
67057-95-8- PubChem CID
- 49341
Properties
Computed structural properties
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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