Basic information
- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2cc(Cl)ccc2C#N)c(C)c1- InChIKey
WYVLRPOSNIXJHM-UHFFFAOYSA-N- Molecular formula
- C21H27ClN5+
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1954986
Names & identifiers
- Preferred name
- 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium
- IUPAC
- 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium
Database identifiers
- PubChem CID
- 166326
- Nikkaji
- J313.735J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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