Basic information
- CAS
77737-04-3- Standard SMILES
Cc1c(C#N)c(N)nc(NCCCOCCCCO)c1N=Nc1ccc([N+](=O)[O-])cc1C#N- InChIKey
HUIWEWMNRIAEOB-UHFFFAOYSA-N- Molecular formula
- C21H24N8O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.19205128
Names & identifiers
- Preferred name
- 2-Amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-pyridinecarbonitrile
- IUPAC
- 2-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
- English name
- 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy) propyl]amino]-4-methyl-3-Pyridinecarbonitrile
- Molecular formula
- C21H24N8O4
- Molecular weight
- 452.47
Names & synonyms
77737-04-32-Amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-pyridinecarbonitrile2-Amino-5-[2-(2-cyano-4-nitrophenyl)diazenyl]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-pyridinecarbonitrileRefChem:2556353-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-Pyridinecarbonitrile, 2-amino-5-((2-cyano-4-nitrophenyl)azo)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-Pyridinecarbonitrile, 2-amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-DTXSID0072851HUIWEWMNRIAEOB-UHFFFAOYSA-N2-Amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylpyridine-3-carbonitrile2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy) propyl]amino]-4-methyl-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl) azo]-6-[[3-(4-hydroxybutoxy)propyl]amino ]-4-methyl-
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Boiling point
- 767.021 · 767.021±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.368 · 1.368±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.072 · 15.072±0.10(predicted)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl- (77737-04-3)
- 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, 2-amino-5-[(2-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]4-methyl-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 2-amino-5-[2-(2-cyano-4-nitrophenyl)diazenyl]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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