Basic information
- CAS
72906-39-9- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2nc(-c3ccccc3)ns2)cc1.O=P([O-])([O-])[O-]- InChIKey
SUGVLKGADNYBOA-UHFFFAOYSA-K- Molecular formula
- C21H27N6O4PS-2
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.15521154
Names & identifiers
- Preferred name
- Ethanaminium, 2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, phosphate (1:1)
- IUPAC
- 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium phosphate
Names & synonyms
Ethanaminium, 2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, phosphate (1:1)Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, phosphate (1:1)RefChem:591463EINECS 277-002-5(2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)trimethylammonium dihydrogen phosphate
Database identifiers
- CAS
72906-39-9- PubChem CID
- 175254
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- -2
- Complexity
- 517
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, phosphate (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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