Basic information
- CAS
56842-61-6- Standard SMILES
COCCNc1nc(NCCOC)c(N=Nc2ccccc2C#N)c(C)c1C#N- InChIKey
SEQWUAQJBYUKJI-UHFFFAOYSA-N- Molecular formula
- C20H23N7O2
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.191323
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 5-(2-(2-cyanophenyl)diazenyl)-2,6-bis((2-methoxyethyl)amino)-4-methyl-
- IUPAC
- 5-[(2-cyanophenyl)diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
- English name
- 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile
- Molecular formula
- C20H23N7O2
- Molecular weight
- 393.44
Names & synonyms
EINECS 260-401-33-Pyridinecarbonitrile, 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-DTXSID90691343-Pyridinecarbonitrile, 5-((2-cyanophenyl)azo)-2,6-bis((2-methoxyethyl)amino)-4-methyl-3-Pyridinecarbonitrile, 5-(2-(2-cyanophenyl)diazenyl)-2,6-bis((2-methoxyethyl)amino)-4-methyl-3-Pyridinecarbonitrile, 5-[2-(2-cyanophenyl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-RefChem:505149DTXCID904212656842-61-65-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile5-((2-Cyanophenyl)azo)-2,6-bis((2-methoxyethyl)amino)-4-methylnicotinonitrileTQF58F7VVN
Show more names
5-[(2-Cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 5-((2-cyanophenyl)azo)-2,6-bis((2-methoxyethyl )amino)-4-methyl-
SEQWUAQJBYUKJI-UHFFFAOYSA-NDB-325218NS000335915-[(2-Cyanophenyl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methylpyridine-3-carbonitrile5-[2-(2-Cyanophenyl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-3-pyridinecarbonitrile
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 658.417 · 658.417±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.211 · 1.211±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.404 · 1.404±0.10(predicted)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl- (56842-61-6)
- TSCA
- TSCA listed
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: 3-Pyridinecarbonitrile, 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-
Other Safety InformationIMAP assessments - 3-Pyridinecarbonitrile, 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 5-[2-(2-cyanophenyl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…