Basic information
- CAS
54749-08-5- Standard SMILES
CCN(CC)c1ccc(NC(C)S(=O)(=O)O)cc1- InChIKey
PBCNZADMGOZXIS-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3S
- Average molar mass
- 272.37 g/mol
- Monoisotopic mass
- 272.11946368
Names & identifiers
- Preferred name
- 1-{[4-(Diethylamino)phenyl]amino}ethanesulfonic acid
- IUPAC
- 1-[4-(diethylamino)anilino]ethanesulfonic acid
Names & synonyms
54749-08-51-{[4-(diethylamino)phenyl]amino}ethanesulfonic acidNSC142139DTXSID00301266NSC-1421391-[4-(Diethylamino)anilino]ethane-1-sulfonic acid
Database identifiers
- CAS
54749-08-5- PubChem CID
- 285296
- DTXSID
DTXSID00301266
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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