3-[Propyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Basic information
- CAS
24848-53-1- Standard SMILES
CCCc1nc(N(CCC)CCC#N)nc(C(Cl)(Cl)Cl)n1- InChIKey
XLFOZCLXLGVUID-UHFFFAOYSA-N- Molecular formula
- C13H18Cl3N5
- Average molar mass
- 350.7 g/mol
- Monoisotopic mass
- 349.062779
Names & identifiers
- Preferred name
- 3-[Propyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
- IUPAC
- 3-[propyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Names & synonyms
3-[propyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile24848-53-1DTXSID702749983-{propyl[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile
Database identifiers
- CAS
24848-53-1- PubChem CID
- 32706
- DTXSID
DTXSID70274998- Nikkaji
- J1.611.734J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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