Basic information
- CAS
20048-48-0- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2ccc(C(=O)c3ccccc3)cc2)cc1.[Cl-]- InChIKey
XCJLPFRURNGRAC-UHFFFAOYSA-M- Molecular formula
- C26H31ClN4O
- Average molar mass
- 451 g/mol
- Monoisotopic mass
- 450.2186393
Names & identifiers
- Preferred name
- Ethanaminium, 2-((4-(2-(4-benzoylphenyl)diazenyl)phenyl)ethylamino)-N,N,N-trimethyl-, chloride (1:1)
- IUPAC
- 2-[4-[(4-benzoylphenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium chloride
Names & synonyms
20048-48-0Ammonium, (2-(p-((p-benzoylphenyl)azo)-N-ethylanilino)ethyl)trimethyl-, chlorideDTXSID00885112Ethanaminium, 2-((4-(2-(4-benzoylphenyl)diazenyl)phenyl)ethylamino)-N,N,N-trimethyl-, chloride (1:1)Ethanaminium, 2-((4-((4-benzoylphenyl)azo)phenyl)ethylamino)-N,N,N-trimethyl-, chlorideEthanaminium, 2-[[4-[(4-benzoylphenyl)azo]phenyl]ethylamino]-N,N,N-trimethyl-, chlorideEthanaminium, 2-[[4-[2-(4-benzoylphenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-, chloride (1:1)RefChem:138049DTXCID201024514XCJLPFRURNGRAC-UHFFFAOYSA-M2-[{4-[(4-Benzoylphenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethan-1-aminium chloride
Database identifiers
- CAS
20048-48-0- PubChem CID
- 88342
- DTXSID
DTXSID00885112
Properties
Computed structural properties
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 562
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-[[4-[2-(4-benzoylphenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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