Basic information
- CAS
17372-78-0- Standard SMILES
Cc1cc2ccccc2nn1- InChIKey
CEYRROMZZGLFSL-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 3-Methylcinnoline
- IUPAC
- 3-methylcinnoline
- English name
- 3-methylcinnoline
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
3-Methylcinnoline17372-78-0Cinnoline, 3-methyl-DTXSID70341755RefChem:281085DTXCID30292835CEYRROMZZGLFSL-UHFFFAOYSA-N3-methyl-cinnolineMethyl-cinnolinSCHEMBL290615SCHEMBL1451018SCHEMBL1744596
Show more names
SCHEMBL2617034AKOS006318328DB-080661
Database identifiers
- CAS
17372-78-0- PubChem CID
- 575522
- DTXSID
DTXSID70341755- Nikkaji
- J101.329G
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Physicochemical properties
- Melting point
- 47 · 47-48 ºC
- Boiling point
- 280 · 280 ºC
- Density
- 1.141 · 1.141
- Flash point
- 127 · 127 ºC
- pka
- 3 · 3.00±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海宏合医药科技有限公司18352536981 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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