3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
Basic information
- CAS
24863-52-3- Standard SMILES
CCC(C)N(CCC#N)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
YTHAIHNPHPHRBX-UHFFFAOYSA-N- Molecular formula
- C12H13Cl6N5
- Average molar mass
- 440 g/mol
- Monoisotopic mass
- 436.930212
Names & identifiers
- Preferred name
- 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
- IUPAC
- 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
Names & synonyms
3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile24863-52-3DTXSID702750013-{[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl](butan-2-yl)amino}propanenitrile
Database identifiers
- CAS
24863-52-3- PubChem CID
- 32727
- DTXSID
DTXSID70275001- Nikkaji
- J1.611.745E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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