2-Hydroxy-n-{2-[(2-hydroxyethyl)amino]ethyl}-3,5-dinitrobenzamide
Basic information
- CAS
5336-40-3- Standard SMILES
O=C(NCCNCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O- InChIKey
QDMAJKMGVSIULD-UHFFFAOYSA-N- Molecular formula
- C11H14N4O7
- Average molar mass
- 314.25 g/mol
- Monoisotopic mass
- 314.0862488
Names & identifiers
- Preferred name
- 2-Hydroxy-n-{2-[(2-hydroxyethyl)amino]ethyl}-3,5-dinitrobenzamide
- IUPAC
- 2-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-3,5-dinitrobenzamide
Names & synonyms
NSC3245336-40-32-hydroxy-n-{2-[(2-hydroxyethyl)amino]ethyl}-3,5-dinitrobenzamideDTXSID90276994NSC-3242-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-3,5-dinitro-benzamideN-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-3,5-DINITROSALICYLAMIDEBenzamide, 2-hydroxy-N-[2-[(2-hydroxyethyl)amino]ethyl]-3,5-dinitro-
Database identifiers
- CAS
5336-40-3- PubChem CID
- 219261
- DTXSID
DTXSID90276994
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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