N-benzyl-N-methylaniline;2,4,6-trinitrophenol
Basic information
- CAS
38734-75-7- Standard SMILES
CN(Cc1ccccc1)c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
IUZLIDUABCUHNF-UHFFFAOYSA-N- Molecular formula
- C20H18N4O7
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.11754893
Names & identifiers
- Preferred name
- N-benzyl-N-methylaniline;2,4,6-trinitrophenol
- IUPAC
- N-benzyl-N-methylaniline;2,4,6-trinitrophenol
Names & synonyms
38734-75-7NSC128145DTXSID80959547NSC-1281452,4,6-Trinitrophenol--N-benzyl-N-methylaniline (1/1)
Database identifiers
- CAS
38734-75-7- PubChem CID
- 278486
- DTXSID
DTXSID80959547
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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