6-(2,6-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
1051437-86-5- Standard SMILES
Nc1nnc(-c2c(Cl)cccc2Cl)c(N)n1- InChIKey
HTESKRIUVUJZAJ-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2N5
- Average molar mass
- 256.09 g/mol
- Monoisotopic mass
- 255.0078506
Names & identifiers
- Preferred name
- 6-(2,6-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
- IUPAC
- 6-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
- English name
- Lamotrigine Impurity 11
- Molecular formula
- C9H7Cl2N5
- Molecular weight
- 256.09
Names & synonyms
SCHEMBL9765986-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine1,2,4-Triazine-3,5-diamine, 6-(2,6-dichlorophenyl)-
Database identifiers
- CAS
1051437-86-5- PubChem CID
- 66864227
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 476.4 · 476.4±55.0 °C(Predicted)
- Density
- 1.572 · 1.572±0.06 g/cm3(Predicted)
- pka
- 5.26 · 5.26±0.63(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…