Basic information
- CAS
142054-81-7- Standard SMILES
COC(=O)c1ccc(CCc2ccccc2)nn1- InChIKey
IOPLSEWANKURSA-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- Methyl 6-phenethylpyridazine-3-carboxylate
- IUPAC
- methyl 6-(2-phenylethyl)pyridazine-3-carboxylate
- English name
- Methyl 6-phenethylpyridazine-3-carboxylate
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
methyl 6-phenethylpyridazine-3-carboxylate142054-81-7Methyl 6-(2-phenylethyl)pyridazine-3-carboxylateMethyl6-phenethylpyridazine-3-carboxylateSCHEMBL17967202DTXSID30745295AKOS016845131DB-2654913-Pyridazinecarboxylic acid, 6-(2-phenylethyl)-, methyl ester
Database identifiers
- CAS
142054-81-7- PubChem CID
- 71304457
- DTXSID
DTXSID30745295
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 404.8 · 404.8±33.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.19 · 1.19±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
郑州爱希医药科技有限公司0371-56787280 13137706083 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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