3-[Ethyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Basic information
- CAS
24848-52-0- Standard SMILES
CCCc1nc(N(CC)CCC#N)nc(C(Cl)(Cl)Cl)n1- InChIKey
NGFILAPCDGTHIY-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3N5
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 335.047129
Names & identifiers
- Preferred name
- 3-[Ethyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
- IUPAC
- 3-[ethyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Names & synonyms
3-[ethyl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile24848-52-0DTXSID102749973-{ethyl[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile
Database identifiers
- CAS
24848-52-0- PubChem CID
- 32705
- DTXSID
DTXSID10274997- Nikkaji
- J1.611.732C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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