2-[(2,4,6-Trinitrophenyl)amino]ethanol
Basic information
- CAS
7539-29-9- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1- InChIKey
QFOQUAFTNLVDHO-UHFFFAOYSA-N- Molecular formula
- C8H8N4O7
- Average molar mass
- 272.17 g/mol
- Monoisotopic mass
- 272.03929861
Names & identifiers
- Preferred name
- 2-[(2,4,6-Trinitrophenyl)amino]ethanol
- IUPAC
- 2-(2,4,6-trinitroanilino)ethanol
Names & synonyms
2-[(2,4,6-trinitrophenyl)amino]ethanol7539-29-92-(2,4,6-trinitroanilino)ethanol2-{2,4,6-trisnitroanilino}ethanolNSC139950SCHEMBL9463559DTXSID70300908NSC-1399502-(2,4,6-Trinitroanilino)ethan-1-ol1-(2-hydroxyethylamino)-2,4,6-trinitrobenzeneAE-848/30689044
Database identifiers
- CAS
7539-29-9- PubChem CID
- 284181
- DTXSID
DTXSID70300908
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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