4-Aminopyridazine-3-carboxylic acid
Basic information
- CAS
20865-29-6- Standard SMILES
Nc1ccnnc1C(=O)O- InChIKey
IYLFGIFKHIUQSL-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.03817641
Names & identifiers
- Preferred name
- 4-Aminopyridazine-3-carboxylic acid
- IUPAC
- 4-aminopyridazine-3-carboxylic acid
- English name
- 4-Amino-pyridazine-3-carboxylic acid
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
4-aminopyridazine-3-carboxylic acid20865-29-64-AMINO-PYRIDAZINE-3-CARBOXYLIC ACID4-amino-3-pyridazinecarboxylic acidMFCD030858673-Pyridazinecarboxylic acid, 4-amino-4-aminopyridazine-3-carboxylic4-aminopyridazine-3-carboxylicacidaminopyridazinecarboxylic acidSCHEMBL5120006DTXSID60423312SBB086048
Show more names
4-aminopyridazine-3-carboxylicaci3-Pyridazinecarboxylicacid,4-amino-(8CI)4-AMINO-PYRIDAZINE-3-CARBOXYLIC ACID USP/EP/BP
AKOS006277218SB35238AC-25162SY008428DB-028704F13675AM-944/40947482
Database identifiers
- CAS
20865-29-6- PubChem CID
- 6402483
- DTXSID
DTXSID60423312
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 470.5 · 470.5±30.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.38 · 2.38±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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