N-(3-pyrimidin-4-ylprop-2-enylidene)hydroxylamine
Basic information
- CAS
339546-58-6- Standard SMILES
ON=CC=Cc1ccncn1- InChIKey
VIIWPENAXWINRZ-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
Names & identifiers
- Preferred name
- N-(3-pyrimidin-4-ylprop-2-enylidene)hydroxylamine
- IUPAC
- N-(3-pyrimidin-4-ylprop-2-enylidene)hydroxylamine
- English name
- 2-Propenal, 3-(4-pyrimidinyl)-, oxime (9CI)
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
2-Propenal, 3-(4-pyrimidinyl)-, oxime (9CI)
Database identifiers
- CAS
339546-58-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 329.764 · 329.764±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.165 · 1.165±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.726 · 10.726±0.28(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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