Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
Basic information
- CAS
63150-14-1- Standard SMILES
CN(C)CCO.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
QLNIJTOWLWFWHS-UHFFFAOYSA-N- Molecular formula
- C7H8O3S.C4H11NO
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.10347926
Names & identifiers
- Preferred name
- Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid
Names & synonyms
63150-14-1EINECS 263-970-6DTXSID6069749Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (salt)Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)RefChem:138291DTXCID8043733SCHEMBL6669501QLNIJTOWLWFWHS-UHFFFAOYSA-N4-Methylbenzene-1-sulfonic acid--2-(dimethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
63150-14-1- PubChem CID
- 113103
- DTXSID
DTXSID6069749- EC Number
- 263-970-6
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (salt)
Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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