4-(Ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate)
Basic information
- CAS
143568-91-6- Standard SMILES
CC1C=CC(S(=O)(=O)O)=CC1.CC1C=CC(S(=O)(=O)O)=CC1.CCN(CCOC)c1ccc(N)c(C)c1- InChIKey
PUPQWRGBPOYMMY-UHFFFAOYSA-N- Molecular formula
- C26H40N2O7S2
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.22769397
Names & identifiers
- Preferred name
- 4-(Ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate)
- IUPAC
- 4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;bis(4-methylcyclohexa-1,5-diene-1-sulfonic acid)
Names & synonyms
4-(Ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate)4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;4-methylcyclohexa-1,5-diene-1-sulfonic acid143568-91-6DTXSID30275926PUPQWRGBPOYMMY-UHFFFAOYSA-N4-Methylcyclohexa-1,5-diene-1-sulfonic acid--N~4~-ethyl-N~4~-(2-methoxyethyl)-2-methylbenzene-1,4-diamine (2/1)
Database identifiers
- CAS
143568-91-6、50928-80-8- PubChem CID
- 94540
- DTXSID
DTXSID30275926
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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