Basic information
- CAS
41541-13-3- Standard SMILES
Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DYGLYJSNAZJJCB-UHFFFAOYSA-N- Molecular formula
- C17H19N5O6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.13353334
Names & identifiers
- Preferred name
- 2,2'-((4-((2,4-Dinitrophenyl)azo)-3-methylphenyl)imino)bisethanol
- IUPAC
- 2-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
- English name
- 2,2'-[[4-[(2,4-dinitrophenyl)azo]-3-methylphenyl]imino]bisethanol
- Molecular formula
- C17H19N5O6
- Molecular weight
- 389.36
Names & synonyms
41541-13-32,2'-[[4-[(2,4-Dinitrophenyl)azo]-3-methylphenyl]imino]bisethanol2,2'-((4-((2,4-Dinitrophenyl)azo)-3-methylphenyl)imino)bisethanolEINECS 255-431-9SCHEMBL14470461DTXSID00872022DYGLYJSNAZJJCB-UHFFFAOYSA-NAKOS034450768NS00056499Z567554432,2'-({4-[(2,4-Dinitrophenyl)diazenyl]-3-methylphenyl}azanediyl)di(ethan-1-ol)Disperse violet 4K
Show more names
Terasil violet P 4RT2,2''-{4-[(2,4-Dinitrophenyl)-azo]-m-tolylimino}-bis-(ethanol)
Database identifiers
- CAS
41541-13-3- PubChem CID
- 38892
- DTXSID
DTXSID00872022- EC Number
- 255-431-9
- Nikkaji
- J320.100G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Experimental & physicochemical properties
LogP2.44
Physicochemical properties
- Melting point
- 190 °C · 190°C
- Boiling point
- 514.85 °C · 514.85°C (rough estimate)
- Density
- 1.2312 · 1.2312 (rough estimate)
- refractive index
- 1.76 · 1.7600 (estimate)
- pka
- 14.267 · 14.267±0.10(predicted)
- Water Solubility
- 272.6 ug/L · 272.6ug/L(25 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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