Basic information
- CAS
26235-11-0- Standard SMILES
N#CCCNc1nc(NCCC#N)nc(C(Cl)(Cl)Cl)n1- InChIKey
IMMNUFIYWRVHJX-UHFFFAOYSA-N- Molecular formula
- C10H10Cl3N7
- Average molar mass
- 334.6 g/mol
- Monoisotopic mass
- 333.006326
Names & identifiers
- Preferred name
- 3-[[4-(2-Cyanoethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
- IUPAC
- 3-[[4-(2-cyanoethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Names & synonyms
3-[[4-(2-cyanoethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile26235-11-0DTXSID602750353,3'-{[6-(Trichloromethyl)-1,3,5-triazine-2,4-diyl]bis(azanediyl)}dipropanenitrile
Database identifiers
- CAS
26235-11-0- PubChem CID
- 33402
- DTXSID
DTXSID60275035- Nikkaji
- J1.613.089C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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