Basic information
- CAS
56272-05-0- Standard SMILES
CCCCCCCCCC=CC(O[Si](C)(C)C)C(CO[Si](C)(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GONNQRDSOZWZIA-UHFFFAOYSA-N- Molecular formula
- C26H47N3O6Si2
- Average molar mass
- 553.8 g/mol
- Monoisotopic mass
- 553.3003393
Names & identifiers
- Preferred name
- Agn-PC-0jtx72
- IUPAC
- N-[1,3-bis(trimethylsilyloxy)tetradec-4-en-2-yl]-2,4-dinitroaniline
- English name
- 2,4-Dinitro-N-[(1S,2R,E)-1-[[(trimethylsilyl)oxy]methyl]-2-[(trimethylsilyl)oxy]-3-tridecenyl]benzenamine
- Molecular formula
- C26H47N3O6Si2
- Molecular weight
- 553.84
Names & synonyms
AGN-PC-0JTX7256272-05-0DTXSID00347346N-(2,4-Dinitrophenyl)-2,2,8,8-tetramethyl-4-(undec-1-en-1-yl)-3,7-dioxa-2,8-disilanonan-5-amine2,4-Dinitro-N-[(1S,2R,E)-1-[[(trimethylsilyl)oxy]methyl]-2-[(trimethylsilyl)oxy]-3-tridecenyl]benzenamineBenzenamine, 2,4-dinitro-N-[1-[[(trimethylsilyl)oxy]methyl]-2-[(trimethylsilyl)oxy]-3-tridecenyl]-, [R-[R*,S*-(E)]]- (9CI)
Database identifiers
- CAS
56272-05-0- PubChem CID
- 620398
- DTXSID
DTXSID00347346
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 700
Physicochemical properties
- Boiling point
- 589 · 589.0±50.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- -5.66 · -5.66±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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