Basic information
- CAS
64895-25-6- Standard SMILES
O=S(=O)(O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
KVDHROFNMRTEFZ-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.10381361
Names & identifiers
- Preferred name
- 4-(9-Acridinylamino)benzeneethanesulfonic acid
- IUPAC
- 2-[4-(acridin-9-ylamino)phenyl]ethanesulfonic acid
Names & synonyms
64895-25-6Benzeneethanesulfonic acid, 4-(9-acridinylamino)-2-(4-(Acridin-9-ylamino)phenyl)ethanesulfonic acid2-[4-(acridin-9-ylamino)phenyl]ethanesulfonic acid4-(9-Acridinylamino)benzeneethanesulfonic acidCHEMBL106318DTXSID102152092-{4-[(ACRIDIN-9-YL)AMINO]PHENYL}ETHANE-1-SULFONIC ACID
Database identifiers
- CAS
64895-25-6- PubChem CID
- 149247
- DTXSID
DTXSID10215209- ChEMBL
CHEMBL106318
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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