Basic information
- CAS
64895-02-9- Standard SMILES
Cl.O=C(O)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1- InChIKey
UQLONZJDQQTULD-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O2
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0978555
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3-(9-acridinylamino)-, monohydrochloride
- IUPAC
- 2-[3-(acridin-9-ylamino)phenyl]acetic acid;hydrochloride
Names & synonyms
Benzeneacetic acid, 3-(9-acridinylamino)-, monohydrochloride64895-02-93-(9-Acridinylamino)benzeneacetic acid monohydrochlorideCHEMBL3277330DTXSID20215199{3-[(Acridin-9-yl)amino]phenyl}acetic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
64895-02-9- PubChem CID
- 152575
- DTXSID
DTXSID20215199- ChEMBL
CHEMBL3277330
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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