Basic information
- CAS
135-05-7- Standard SMILES
CCOc1ccccc1Nc1ccc(N)cc1S(=O)(=O)O- InChIKey
YRLCWCSMBOVTJM-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.08307817
Names & identifiers
- Preferred name
- 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid
- IUPAC
- 5-amino-2-(2-ethoxyanilino)benzenesulfonic acid
- English name
- Benzenesulfonic acid, 5-amino-2-[ (2-ethoxyphenyl)amino]-
- Molecular formula
- C14H16N2O4S
- Molecular weight
- 308.35
Names & synonyms
135-05-75-amino-2-(2-ethoxyanilino)benzenesulfonic acidNSC13970Benzenesulfonic acid, 5-amino-2-[ (2-ethoxyphenyl)amino]-NSC-13970Benzenesulfonic acid,5-amino-2-[(2-ethoxyphenyl)amino]-NCIStruc1_001096NCIStruc2_000837CHEMBL1402835DTXSID70279741NCI13970CCG-36495
Show more names
5-Amino-2(2-ethoxyphenyl)amino)benzenesulfonic acid
NCGC00013174NCGC00013174-02NCGC00096295-01NCI60_0008805-Amino-2-o-phenetidinobenzenesulfonic acidDS-007067Benzenesulfonic acid, 5-amino-2-o-phenetidino-5-Amino-2-(2-ethoxyanilino)benzene-1-sulfonic acid
Database identifiers
- CAS
135-05-7- PubChem CID
- 224976
- DTXSID
DTXSID70279741- ChEMBL
CHEMBL1402835
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- -1.17 · -1.17±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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