Basic information
- CAS
58952-78-6- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1CN(CCO)CCO- InChIKey
YFPWJHATTFVQAF-UHFFFAOYSA-N- Molecular formula
- C13H20N2O5
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.13722174
Names & identifiers
- Preferred name
- Bis(2-hydroxyethyl)aminomethyl-4-ethoxynitrobenzene
- IUPAC
- 2-[(2-ethoxy-5-nitrophenyl)methyl-(2-hydroxyethyl)amino]ethanol
Names & synonyms
58952-78-6Ethanol, 2,2'-(((2-ethoxy-5-nitrophenyl)methyl)imino)bis-Bis(2-hydroxyethyl)aminomethyl-4-ethoxynitrobenzene2,2'-(((2-Ethoxy-5-nitrophenyl)methyl)imino)bisethanolDTXSID802076912,2'-{[(2-Ethoxy-5-nitrophenyl)methyl]azanediyl}di(ethan-1-ol)
Database identifiers
- CAS
58952-78-6- PubChem CID
- 3042014
- DTXSID
DTXSID80207691- Nikkaji
- J78.129K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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