4-Methylcinnoline
Basic information
- CAS
14722-38-4- Standard SMILES
Cc1cnnc2ccccc12- InChIKey
KREYIEXCOLYLAV-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 4-Methylcinnoline
- IUPAC
- 4-methylcinnoline
- English name
- 4-methylcinnoline
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
4-MethylcinnolineCINNOLINE, 4-METHYL-4-Methyl cinnolineEINECS 238-768-6NSC 38294BRN 0114423UNII-AW25B80501NSC-38294AW25B80501DTXSID90658115-23-07-00213 (Beilstein Handbook Reference)RefChem:99860
Show more names
4-methycinnolineCinnoline Impurity 3
DTXCID9034789238-768-6KREYIEXCOLYLAV-UHFFFAOYSA-N14722-38-44-Methylcinnolin4-methyl-cinnolineNSC38294SCHEMBL436407
Database identifiers
- CAS
14722-38-4- PubChem CID
- 26843
- DTXSID
DTXSID9065811- ChEMBL
CHEMBL1876010- UNII
- AW25B80501
- EC Number
- 238-768-6
- Nikkaji
- J48.474A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 72.5 · 72.5-74.0 °C
- Boiling point
- 252.78 °C · 252.78°C (rough estimate)
- Density
- 1.1357 · 1.1357 (rough estimate)
- refractive index
- 1.596 · 1.5960 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.97 · 3.97±0.10(Predicted)
- FDA UNII
- 25 B80501 · AW25B80501
- EPA Substance Registry System
- 4 · Cinnoline, 4-methyl- (14722-38-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCinnoline, 4-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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