6-Methyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Basic information
- CAS
777850-29-0- Standard SMILES
CC1N=C(N)N=C(N)N1c1ccccc1- InChIKey
RPLDHTWHTNJWOS-UHFFFAOYSA-N- Molecular formula
- C10H13N5
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-methyl-1-phenyl-2H-1,3,5-triazine-4,6-diamine
- English name
- 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6-methyl-1-phenyl-(9CI)
- Molecular formula
- C10H13N5
- Molecular weight
- 203.24
Names & synonyms
777850-29-06-Methyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamineDB-2788371,3,5-TRIAZINE-2,4-DIAMINE, 1,6-DIHYDRO-6-METHYL-1-PHENYL-1,3,5-Triazine-2,4-diamine,1,6-dihydro-6-methyl-1-phenyl-(9CI)
Database identifiers
- CAS
777850-29-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 359.6 · 359.6±25.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…