Basic information
- CAS
30339-70-9- Standard SMILES
CCCCc1nc(N)nc(C(Cl)(Cl)Cl)n1- InChIKey
IUKODSJEKDKXCE-UHFFFAOYSA-N- Molecular formula
- C8H11Cl3N4
- Average molar mass
- 269.6 g/mol
- Monoisotopic mass
- 268.004929
Names & identifiers
- Preferred name
- 1,3,5-Triazin-2-amine, 4-butyl-6-(trichloromethyl)-
- IUPAC
- 4-butyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
30339-70-91,3,5-Triazin-2-amine, 4-butyl-6-(trichloromethyl)-CHEMBL2286852DTXSID509526866-Butyl-4-(trichloromethyl)-1,3,5-triazin-2(1H)-imine
Database identifiers
- CAS
30339-70-9- PubChem CID
- 34906
- DTXSID
DTXSID50952686- ChEMBL
CHEMBL2286852- Nikkaji
- J678.621I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…