Basic information
- CAS
17419-08-8- Standard SMILES
Nc1cc(Nc2ccccc2)nc(N)n1- InChIKey
XWBNHTPDQLDGES-UHFFFAOYSA-N- Molecular formula
- C10H11N5
- Average molar mass
- 201.23 g/mol
- Monoisotopic mass
- 201.10144537
Names & identifiers
- Preferred name
- 4-N-phenylpyrimidine-2,4,6-triamine
- IUPAC
- 4-N-phenylpyrimidine-2,4,6-triamine
- English name
- N4-phenyl-pyrimidine-2,4,6-triamine
- Molecular formula
- C10H11N5
- Molecular weight
- 201.23
Names & synonyms
4-N-phenylpyrimidine-2,4,6-triamine17419-08-8N4-phenyl-pyrimidine-2,4,6-triamineNSC52862SCHEMBL15305715SCHEMBL30488025DTXSID20938477NSC-52862AKOS0193365182-Imino-6-(phenylimino)-1,2,3,6-tetrahydropyrimidin-4-amine2,4,6-Pyrimidinetriamine, N4-phenyl-
Database identifiers
- CAS
17419-08-8- PubChem CID
- 243304
- DTXSID
DTXSID20938477
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 182 · 182-184 °C(Solv: water (7732-18-5))
- Boiling point
- 513.8 · 513.8±60.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 6.37 · 6.37±0.50(Predicted)
Chemistry & industry
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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