Basic information
- CAS
52497-46-8- Standard SMILES
C[NH+](C)c1ccc(C(=N)c2ccc([NH+](C)C)cc2)cc1.O=S(=O)([O-])[O-]- InChIKey
KVMLDUSKLVVPCO-UHFFFAOYSA-N- Molecular formula
- C17H23N3O4S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.1409274
Names & identifiers
- Preferred name
- Einecs 282-562-9
- IUPAC
- [4-[4-(dimethylazaniumyl)benzenecarboximidoyl]phenyl]-dimethylazanium sulfate
Names & synonyms
EINECS 282-562-984255-16-34,4'-Carbonimidoylbis(N,N-dimethylbenzenamine sulphate
Database identifiers
- CAS
52497-46-8、84255-16-3- PubChem CID
- 53249751
- EC Number
- 282-562-9
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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