N-(1-pyrimidin-4-ylethylidene)hydroxylamine
Basic information
- CAS
28648-80-8- Standard SMILES
CC(=NO)c1ccncn1- InChIKey
HXPUWBNEPKGXKL-UHFFFAOYSA-N- Molecular formula
- C6H7N3O
- Average molar mass
- 137.14 g/mol
Names & identifiers
- Preferred name
- N-(1-pyrimidin-4-ylethylidene)hydroxylamine
- IUPAC
- N-(1-pyrimidin-4-ylethylidene)hydroxylamine
- English name
- Ethanone, 1-(4-pyrimidinyl)-, oxime (9CI)
- Molecular formula
- C6H7N3O
- Molecular weight
- 137.14
Names & synonyms
Ethanone, 1-(4-pyrimidinyl)-, oxime (9CI)
Database identifiers
- CAS
28648-80-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 294.403 · 294.403±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.236 · 1.236±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.977 · 9.977±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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