Basic information
- CAS
116146-05-5- Standard SMILES
CCN(CC)c1nc(Cl)nc(NC(C)(C)c2ccccc2)n1- InChIKey
HKSKNWSTLWJAJA-UHFFFAOYSA-N- Molecular formula
- C16H22ClN5
- Average molar mass
- 319.83 g/mol
- Monoisotopic mass
- 319.1563734
Names & identifiers
- Preferred name
- 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
116146-05-56-chloro-2-N,2-N-diethyl-4-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamineDTXSID909219371,3,5-Triazine-2,4-diamine, 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylpropan-2-yl)-6-Chloro-N~2~,N~2~-diethyl-N~4~-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
116146-05-5- PubChem CID
- 189366
- DTXSID
DTXSID90921937
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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