6-Aminopyridazin-3(2H)-one
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Basic information
- CAS
57041-95-9- Standard SMILES
Nc1ccc(=O)[nH]n1- InChIKey
MMZLICVOTDAZOX-UHFFFAOYSA-N- Molecular formula
- C4H5N3O
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.04326179
Names & identifiers
- Preferred name
- 6-Aminopyridazin-3(2H)-one
- IUPAC
- 3-amino-1H-pyridazin-6-one
- English name
- 3(2H)-Pyridazinone,6-amino-(6CI,7CI,9CI)
- Molecular formula
- C4H5N3O
- Molecular weight
- 111.1
Names & synonyms
6-Aminopyridazin-3(2H)-oneRefChem:1073808DTXCID60812747DTXSID6086420157041-95-96-AMINO-3(2H)-PYRIDAZINONE10071-13-33-amino-1H-pyridazin-6-one6-aminopyridazin-3-ol3-amino-6-hydroxypyridazine3(2H)-Pyridazinone, 6-amino-6-amino-2,3-dihydropyridazin-3-one
Show more names
Relugolix Impurity 93Chloridazon Impurity 9Netarsudil Impurity 116-Aminopyridazin-3(2H)-one 97%
6-amino-3-pyridazinolMFCD01646098MFCD11520599F1967-08523(2H)-Pyridazinone,6-amino-(6CI,7CI,9CI)6-aminopyridazinone6-amino-pyridazin-3-ol6-Hydroxypyridazin-3-amine
Database identifiers
- CAS
57041-95-9- PubChem CID
- 1201445
- UNII
- UA632YJ79C
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 245 · 245-246 °C (decomp)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.87 · 10.87±0.40(Predicted)
- form
- solid
- color
- Off-white to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3(2H)-Pyridazinone,6-amino-(6CI,7CI,9CI) is a heterocyclic derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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