N-ethyl-2,4,6-trinitroaniline
Basic information
- CAS
7449-27-6- Standard SMILES
CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JRLUWLIIVKSPPT-UHFFFAOYSA-N- Molecular formula
- C8H8N4O6
- Average molar mass
- 256.17 g/mol
- Monoisotopic mass
- 256.04438399
Names & identifiers
- Preferred name
- N-ethyl-2,4,6-trinitroaniline
- IUPAC
- N-ethyl-2,4,6-trinitroaniline
- English name
- N-ethyl-2,4,6-trinitroaniline
- Molecular formula
- C8H8N4O6
- Molecular weight
- 256.17
Names & synonyms
N-Ethyl-2,4,6-trinitroaniline7449-27-6EINECS 231-216-5DTXSID40225492RefChem:163304DTXCID40147983231-216-5N-Ethyl-2,4,6-trinitrobenzenamineBenzenamine, N-ethyl-2,4,6-trinitro-R9A3HKS6YA2,4,6-Trinitro-N-ethylanilineSCHEMBL15216215
Show more names
N-(2,4,6-Trinitrophenyl)ethanamine
JRLUWLIIVKSPPT-UHFFFAOYSA-Naniline, N-ethyl-2,4,6-trinitro-1-(Ethylamino)-2,4,6-trinitrobenzeneNS00037626
Database identifiers
- CAS
7449-27-6- PubChem CID
- 81952
- DTXSID
DTXSID40225492- UNII
- R9A3HKS6YA
- EC Number
- 231-216-5
- Nikkaji
- J278.851I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 81.5 °C · 81.5 °C
- Boiling point
- 399.41 °C · 399.41°C (rough estimate)
- Density
- 1.5747 · 1.5747 (rough estimate)
- refractive index
- 1.659 · 1.6590 (estimate)
- pka
- -8.66 · -8.66±0.50(Predicted)
- Water Solubility
- 0.1 g/L · 0.1g/L(19 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…