Basic information
- CAS
6938-47-2- Standard SMILES
CCN(CC)CCCNc1ccccc1[N+](=O)[O-].O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
XUZMGHUPMLGDKO-UHFFFAOYSA-N- Molecular formula
- C19H24N6O9
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 480.16047636
Names & identifiers
- Preferred name
- N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine;2,4,6-trinitrophenol
- IUPAC
- N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine;2,4,6-trinitrophenol
Names & synonyms
MLS0033893916938-47-2NSC53966CHEMBL2359921DTXSID40989168NSC-53966SMR0020490452,4,6-Trinitrophenol--N~1~,N~1~-diethyl-N~3~-(2-nitrophenyl)propane-1,3-diamine (1/1)
Database identifiers
- CAS
6938-47-2- PubChem CID
- 243794
- DTXSID
DTXSID40989168- ChEMBL
CHEMBL2359921
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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