3-(9-Acridinylamino)benzoic acid
Basic information
- CAS
64894-98-0- Standard SMILES
O=C(O)c1cccc(Nc2c3ccccc3nc3ccccc23)c1- InChIKey
RJVCIMWGQYPKEF-UHFFFAOYSA-N- Molecular formula
- C20H14N2O2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10552769
Names & identifiers
- Preferred name
- 3-(9-Acridinylamino)benzoic acid
- IUPAC
- 3-(acridin-9-ylamino)benzoic acid
Names & synonyms
3-(9-Acridinylamino)benzoic acid3-(acridin-9-ylamino)benzoic acid64894-98-03-(Acridin-9-ylamino)-benzoic acidBenzoic acid, 3-(9-acridinylamino)-MLS001209474Benzoic acid,3-(9-acridinylamino)-SMR000514498CHEMBL107231cid_149241BDBM75147DTXSID80215195
Show more names
RJVCIMWGQYPKEF-UHFFFAOYSA-NHMS2821F073-(9-Acridinylamino)benzoic acid #STL088558AKOS000599218NCGC00245145-013-[(ACRIDIN-9-YL)AMINO]BENZOIC ACIDAF-399/33696064
Database identifiers
- CAS
64894-98-0- PubChem CID
- 149241
- DTXSID
DTXSID80215195- ChEMBL
CHEMBL107231
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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