Basic information
- CAS
43027-27-6- Standard SMILES
CN(C)c1nc(-c2ccc(F)cc2)nc(N(C)C)n1- InChIKey
XAHDJBWAPOPLMS-UHFFFAOYSA-N- Molecular formula
- C13H16FN5
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.13897369
Names & identifiers
- Preferred name
- s-Triazine, 2,4-bis(dimethylamino)-6-(p-fluorophenyl)-
- IUPAC
- 6-(4-fluorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
- English name
- 6-(4-Fluorophenyl)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C13H16FN5
- Molecular weight
- 261.3
Names & synonyms
43027-27-6BRN 0804737s-Triazine, 2,4-bis(dimethylamino)-6-(p-fluorophenyl)-2,4-Bis(dimethylamino)-6-(p-fluorophenyl)-s-triazineDTXSID401956411,3,5-Triazine-2,4-diamine, 6-(4-fluorophenyl)-N,N,N',N'-tetramethyl-RefChem:379645DTXCID801181321,3,5-Triazine-2,4-diamine, 6-(4-fluorophenyl)-N,N,N',N'-tetramethyl-(9CI)6-(4-Fluorophenyl)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine6-(4-Fluorophenyl)-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(4-fluorophenyl)-N2,N2,N4,N4-tetramethyl-
Database identifiers
- CAS
43027-27-6- PubChem CID
- 206166
- DTXSID
DTXSID40195641- Nikkaji
- J92.237D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 407 · 407.0±47.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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