5-((2,4-Dichlorophenyl)azo)-2,4,6-triaminopyrimidine
Basic information
- CAS
32524-37-1- Standard SMILES
Nc1nc(N)c(N=Nc2ccc(Cl)cc2Cl)c(N)n1- InChIKey
GELKBEAHMREOLC-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N7
- Average molar mass
- 298.13 g/mol
- Monoisotopic mass
- 297.0296487
Names & identifiers
- Preferred name
- 5-((2,4-Dichlorophenyl)azo)-2,4,6-triaminopyrimidine
- IUPAC
- 5-[(2,4-dichlorophenyl)diazenyl]pyrimidine-2,4,6-triamine
- English name
- Pyrimidine, 5-((2,4-dichlorophenyl)azo)-2,4,6-triamino-
- Molecular formula
- C10H9Cl2N7
- Molecular weight
- 298.13
Names & synonyms
32524-37-1Pyrimidine, 5-((2,4-dichlorophenyl)azo)-2,4,6-triamino-Py-69BRN 03095785-((2,4-Dichlorophenyl)azo)-2,4,6-triaminopyrimidine2,4,6-Pyrimidinetriamine, 5-[2-(2,4-dichlorophenyl)diazenyl]-
Database identifiers
- CAS
32524-37-1- PubChem CID
- 208586
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 655.5 · 655.5±65.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- 4.84 · 4.84±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
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Compound notes
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