2,4,6-Triamino-5-(p-diethylamino)phenylazopyrimidine
Basic information
- CAS
4449-92-7- Standard SMILES
CCN(CC)c1ccc(N=Nc2c(N)nc(N)nc2N)cc1- InChIKey
OCSWUURZJAUGBX-UHFFFAOYSA-N- Molecular formula
- C14H20N8
- Average molar mass
- 300.36 g/mol
- Monoisotopic mass
- 300.18109267
Names & identifiers
- Preferred name
- 2,4,6-Triamino-5-(p-diethylamino)phenylazopyrimidine
- IUPAC
- 5-[[4-(diethylamino)phenyl]diazenyl]pyrimidine-2,4,6-triamine
- English name
- 5-[[p-(Diethylamino)phenyl]azo]pyrimidine-2,4,6-triamine
- Molecular formula
- C14H20N8
- Molecular weight
- 300.36
Names & synonyms
BRN 08949322,4,6-Triamino-5-(p-diethylamino)phenylazopyrimidine4449-92-7Pyrimidine, 5-(p-diethylamino)phenylazo-2,4,6-triamino-Aniline, N,N-diethyl-p-(2,4,6-triamino-5-pyrimidinyl)azo-5-[[p-(Diethylamino)phenyl]azo]pyrimidine-2,4,6-triamine
Database identifiers
- CAS
4449-92-7- PubChem CID
- 199579
- Nikkaji
- J51.385G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 248 · 248-250 °C
- Boiling point
- 628.156 · 628.156±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.37 · 1.370±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.218 · 5.218±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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