4-Benzo[e]benzotriazol-2-ylaniline
Basic information
- CAS
21665-71-4- Standard SMILES
Nc1ccc(-n2nc3ccc4ccccc4c3n2)cc1- InChIKey
LDMKMQLBZMPVTE-UHFFFAOYSA-N- Molecular formula
- C16H12N4
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.1061964
Names & identifiers
- Preferred name
- 4-Benzo[e]benzotriazol-2-ylaniline
- IUPAC
- 4-benzo[e]benzotriazol-2-ylaniline
Names & synonyms
NSC23154321665-71-4SCHEMBL11911474DTXSID80310750NSC-2315434-(2H-Naphtho[1,2-d][1,2,3]triazol-2-yl)aniline
Database identifiers
- CAS
21665-71-4- PubChem CID
- 314259
- DTXSID
DTXSID80310750
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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