N(2)-(4-Chlorobenzyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
328262-57-3- Standard SMILES
Nc1nc(NCc2ccc(Cl)cc2)nc(C(F)(F)F)n1- InChIKey
PLIBYMGUVKEHAA-UHFFFAOYSA-N- Molecular formula
- C11H9ClF3N5
- Average molar mass
- 303.67 g/mol
- Monoisotopic mass
- 303.0498575
Names & identifiers
- Preferred name
- N(2)-(4-Chlorobenzyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
- English name
- N(2)-(4-Chlorobenzyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
- Molecular formula
- C11H9ClF3N5
- Molecular weight
- 303.67
Names & synonyms
N(2)-(4-CHLOROBENZYL)-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZINE-2,4-DIAMINEPLIBYMGUVKEHAA-UHFFFAOYSA-NAKOS024275429ST012006[4-amino-6-(trifluoromethyl)(1,3,5-triazin-2-yl)][(4-chlorophenyl)methyl]amine1,3,5-Triazine-2,4-diamine, N2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-
Database identifiers
- CAS
328262-57-3- PubChem CID
- 720257
- EC Number
- 140-980-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 444.922 · 444.922±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.541 · 1.541±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.936 · 2.936±0.10(predicted)
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Compound notes
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