M 279
Basic information
- CAS
92950-21-5- Standard SMILES
CCCC(=O)OCN1CCCN(/N=C/c2ccc([N+](=O)[O-])o2)C1=O- InChIKey
GMARJEIJEOVNSM-UHFFFAOYSA-N- Molecular formula
- C14H18N4O6
- Average molar mass
- 338.32 g/mol
- Monoisotopic mass
- 338.12263431
Names & identifiers
- Preferred name
- M 279
- IUPAC
- [3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoate
- English name
- M 279
- Molecular formula
- C14H18N4O6
- Molecular weight
- 338.32
Names & synonyms
M 27992950-21-5M-279RefChem:154830(1-(5-Nitro-2-furanyl)methyleneamino)tetrahydropyrimidin-2-one methanol propionate[3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoateButanoic acid, (tetrahydro-3-(((5-nitro-2-furanyl)methylene)amino)-2-oxo-1(2H)-pyrimidinyl)methyl esterButanoic acid, [tetrahydro-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxo-1(2H)-pyrimidinyl]methyl ester
Database identifiers
- CAS
92950-21-5- PubChem CID
- 9577010
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 469.6 · 469.6±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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