Basic information
- CAS
64895-01-8- Standard SMILES
O=C(O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
RZSCSDASRPFQEW-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- ACETIC ACID, p-(9-ACRIDINYLAMINO)PHENYL-
- IUPAC
- 2-[4-(acridin-9-ylamino)phenyl]acetic acid
- English name
- p-(Acridin-9-ylamino)phenylacetic acid
- Molecular formula
- C21H16N2O2
- Molecular weight
- 328.36
Names & synonyms
p-(9-Acridinylamino)phenyl acetic acidACETIC ACID, p-(9-ACRIDINYLAMINO)PHENYL-BRN 043330564895-01-8DTXSID602151985-22-11-00017 (Beilstein Handbook Reference)Benzeneacetic acid, 4-[(9-acridinyl)amino]-Benzeneacetic acid, 4-((9-acridinyl)amino)-RefChem:316673DTXCID60137689RZSCSDASRPFQEW-UHFFFAOYSA-NCHEMBL323027
Show more names
p-(Acridin-9-ylamino)phenylacetic acidBenzeneacetic acid, 4-(9-acridinylamino)-
[4-(9-Acridinylamino)phenyl]acetic acid #{4-[(Acridin-9-yl)amino]phenyl}acetic acid
Database identifiers
- CAS
64895-01-8- PubChem CID
- 47480
- DTXSID
DTXSID60215198- ChEMBL
CHEMBL323027- Nikkaji
- J85.174D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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