Basic information
- CAS
72939-67-4- Standard SMILES
Cc1c(C#N)c(NCCCOCCCCO)nc(N)c1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
VFCJEFOSAGTGOU-UHFFFAOYSA-N- Molecular formula
- C20H24ClN7O4
- Average molar mass
- 461.9 g/mol
- Monoisotopic mass
- 461.15783
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 6-amino-5-(2-(2-chloro-4-nitrophenyl)diazenyl)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-
- IUPAC
- 6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
- English name
- 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile
- Molecular formula
- C20H24ClN7O4
- Molecular weight
- 461.9
Names & synonyms
EINECS 277-113-93-Pyridinecarbonitrile, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-Pyridinecarbonitrile, 6-amino-5-((2-chloro-4-nitrophenyl)azo)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-Pyridinecarbonitrile, 6-amino-5-(2-(2-chloro-4-nitrophenyl)diazenyl)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-3-Pyridinecarbonitrile, 6-amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-RefChem:50516272939-67-46-AMINO-5-[(2-CHLORO-4-NITROPHENYL)AZO]-2-[[3-(4-HYDROXYBUTOXY)PROPYL]AMINO]-4-METHYLNICOTINONITRILE6-Amino-5-((2-chloro-4-nitrophenyl)azo)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methylnicotinonitrile5LZR6K2W48DTXSID6072681VFCJEFOSAGTGOU-UHFFFAOYSA-N
Show more names
6-Amino-5-(2-chloro-4-nitrophenylazo)-4-methyl-2-[3-(4-hydroxybutoxy)propylamino]pyridine-3-carbonitrile
NS000374446-Amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylpyridine-3-carbonitrile6-Amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-pyridinecarbonitrile
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Boiling point
- 739.965 · 739.965±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.412 · 1.412±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, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl- (72939-67-4)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 6-amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]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
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