1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate
Basic information
- CAS
87549-66-4- Standard SMILES
CCN(CCOC)c1ccc(N)c(C)c1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
QJNVAFZHBQNXJT-UHFFFAOYSA-M- Molecular formula
- C19H27N2O4S-
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.16915352
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate
- IUPAC
- 4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;4-methylbenzenesulfonate
Names & synonyms
1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-,4-methylbenzenesulfonate87549-66-4
Database identifiers
- CAS
87549-66-4- PubChem CID
- 159098
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- -1
- Complexity
- 368
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Compound notes
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