Basic information
- CAS
68132-84-3- Standard SMILES
CCCC(C)c1c(O)cccc1CN(C)CCS(=O)(=O)[O-].[Na+]- InChIKey
WWAPAXOZHMDPOR-UHFFFAOYSA-M- Molecular formula
- C15H24NNaO4S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.1323737
Names & identifiers
- Preferred name
- Ethanesulfonic acid, 2-[[(hydroxy-sec-pentylphenyl)methyl]methylamino]-, sodium salt (1:1)
- IUPAC
- sodium 2-[(3-hydroxy-2-pentan-2-ylphenyl)methyl-methylamino]ethanesulfonate
Names & synonyms
(Hydroxy-sec-amylbenzyl)methyltaurine, monosodium salt68132-84-3Ethanesulfonic acid, 2-(((hydroxy-sec-pentylphenyl)methyl)methylamino)-, monosodium saltEthanesulfonic acid, 2-(((hydroxy-sec-pentylphenyl)methyl)methylamino)-, sodium salt (1:1)Ethanesulfonic acid, 2-[[(hydroxy-sec-pentylphenyl)methyl]methylamino]-, monosodium saltEthanesulfonic acid, 2-[[(hydroxy-sec-pentylphenyl)methyl]methylamino]-, sodium salt (1:1)RefChem:138164
Database identifiers
- CAS
68132-84-3- PubChem CID
- 23715917
Properties
Computed structural properties
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanesulfonic acid, 2-[[(hydroxy-sec-pentylphenyl)methyl]methylamino]-, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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