2-((2-Ethylhexyl)amino)ethanesulphonic acid
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Basic information
- CAS
94200-39-2- Standard SMILES
CCCCC(CC)CNCCS(=O)(=O)O- InChIKey
PERNZMXFAMSERD-UHFFFAOYSA-N- Molecular formula
- C10H23NO3S
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.13986477
Names & identifiers
- Preferred name
- 2-((2-Ethylhexyl)amino)ethanesulphonic acid
- IUPAC
- 2-(2-ethylhexylamino)ethanesulfonic acid
- English name
- 2-[(2-ethylhexyl)amino]ethanesulphonic acid
- Molecular formula
- C10H23NO3S
- Molecular weight
- 237.35952
Names & synonyms
2-((2-Ethylhexyl)amino)ethanesulphonic acid94200-39-2KUG658MS5WEINECS 303-516-7UNII-KUG658MS5W2-((2-Ethylhexyl)amino)ethanesulfonic acid2-[(2-Ethylhexyl)amino]ethane-1-sulfonic acidSCHEMBL6768071DTXSID60916173PERNZMXFAMSERD-UHFFFAOYSA-NNS00093233ETHANESULFONIC ACID, 2-((2-ETHYLHEXYL)AMINO)-
Show more names
2-(2-Ethylhexylamino)ethanesulfonic acid2-[(2-ethylhexyl)amino]ethanesulphonic acid
ETHANESULPHONIC ACID, 2-((2-ETHYLHEXYL)AMINO)-
Database identifiers
- CAS
94200-39-2- PubChem CID
- 3023955
- DTXSID
DTXSID60916173- UNII
- KUG658MS5W
- EC Number
- 303-516-7
- Nikkaji
- J319.093E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- FDA UNII
- 658 MS5W · KUG658MS5W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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