Basic information
- CAS
64895-31-4- Standard SMILES
Cl.N#Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
YJPKNQAYTOMARA-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0876252
Names & identifiers
- Preferred name
- Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride
- IUPAC
- 4-(acridin-9-ylamino)benzonitrile;hydrochloride
Names & synonyms
Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride64895-31-44-(9-Acridinylamino)benzonitrile monohydrochlorideDTXSID002152134-[(Acridin-9-yl)amino]benzonitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
64895-31-4- PubChem CID
- 152607
- DTXSID
DTXSID00215213
Properties
Computed structural properties
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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