Basic information
- CAS
102587-57-5- Standard SMILES
CCCCCCCCNc1nc(Cl)nc(NCC)n1- InChIKey
NNJDPUNEIRFHMI-UHFFFAOYSA-N- Molecular formula
- C13H24ClN5
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1720235
Names & identifiers
- Preferred name
- 6-chloro-N-ethyl-N-octyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-4-N-ethyl-2-N-octyl-1,3,5-triazine-2,4-diamine
Names & synonyms
6-chloro-N-ethyl-N-octyl-1,3,5-triazine-2,4-diamineDTXSID009079041,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N-octyl-6-Chloro-N~4~-ethyl-N~2~-octyl-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
102587-57-5- PubChem CID
- 190397
- DTXSID
DTXSID00907904
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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