N,N-Dimethyl-4-{2-[(5-nitrofuran-2-yl)methyl]hydrazinyl}-6-(trichloromethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
30576-26-2- Standard SMILES
CN(C)c1nc(NNCc2ccc([N+](=O)[O-])o2)nc(C(Cl)(Cl)Cl)n1- InChIKey
DGELZYGOBPKRPO-UHFFFAOYSA-N- Molecular formula
- C11H12Cl3N7O3
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 395.00672
Names & identifiers
- Preferred name
- N,N-Dimethyl-4-{2-[(5-nitrofuran-2-yl)methyl]hydrazinyl}-6-(trichloromethyl)-1,3,5-triazin-2-amine
- IUPAC
- N,N-dimethyl-4-[2-[(5-nitrofuran-2-yl)methyl]hydrazinyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
30576-26-2N,N-Dimethyl-4-{2-[(5-nitrofuran-2-yl)methyl]hydrazinyl}-6-(trichloromethyl)-1,3,5-triazin-2-amineDTXSID00275296N,N-Dimethyl-4-{2-[(5-nitrofuran-2-yl)methyl]hydrazin-1-yl}-6-(trichloromethyl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
30576-26-2- PubChem CID
- 35391
- DTXSID
DTXSID00275296
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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