Basic information
- CAS
40855-12-7- Standard SMILES
O=[N+]([O-])c1ccc(C=NCCO)o1- InChIKey
ZYPBOGIEVIGGCO-UHFFFAOYSA-N- Molecular formula
- C7H8N2O4
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.04840674
Names & identifiers
- Preferred name
- 2-((5-Nitro-2-furyl)imino)ethanol
- IUPAC
- 2-[(5-nitrofuran-2-yl)methylideneamino]ethanol
- English name
- 2-(5-NITRO-2-FURFURYLIDENE)AMINOETHANOL
- Molecular formula
- C7H8N2O4
- Molecular weight
- 184.15
Names & synonyms
2-((5-Nitro-2-furyl)imino)ethanol40855-12-72-(5-Nitro-2-furanyl)methyleneaminoethanol2-((5-Nitro-2-furfurylidene)amino)ethanolETHANOL, 2-((5-NITRO-2-FURFURYLIDENE)AMINO)-Furazolidone Impurity 14DTXSID401032139AKOS0062765252-(5-NITRO-2-FURFURYLIDENE)AMINOETHANOL2-(5-Nitrofurfurylidene)aminoethanol2-[[(5-Nitro-2-furanyl)methylene]amino]ethanolEthanol, 2-[[(5-nitro-2-furanyl)methylene]amino]-
Database identifiers
- CAS
40855-12-7- PubChem CID
- 38690
- DTXSID
DTXSID401032139- Nikkaji
- J1.044H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 330.8 · 330.8±37.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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