Basic information
- CAS
2436-66-0- Standard SMILES
Cn1cnc2ccccc2c1=O- InChIKey
FJVAQPINJBFBLI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 3-Methyl-4(3H)-quinazolinone
- IUPAC
- 3-methylquinazolin-4-one
- English name
- 4(3H)-Quinazolinone, 3-methyl-
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
4(3H)-QUINAZOLINONE, 3-METHYL-3-Methyl-4(3H)-quinazolinone3-Methyl-4-quinazolinone3-methyl-3,4-dihydroquinazoline-4-one2E8G0QHA8TNSC 401251BRN 01246674-Quinazolone, 3-methylUNII-2E8G0QHA8TNSC-401251DTXSID101790995-24-03-00026 (Beilstein Handbook Reference)
Show more names
4(3H)-Quinazolinone,3-methyl-(6CI,7CI,8CI,9CI)
RefChem:94762DTXCID90101590FJVAQPINJBFBLI-UHFFFAOYSA-N3-Methylquinazolin-4(3H)-one2436-66-0MFCD01685944NSC4012513-methyl-4-quinazolone
Database identifiers
- CAS
2436-66-0- PubChem CID
- 17088
- DTXSID
DTXSID10179099- ChEMBL
CHEMBL3139516- UNII
- 2E8G0QHA8T
- Nikkaji
- J73.422E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
LogP0.69
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 286.07 °C · 286.07°C (rough estimate)
- Density
- 1.1846 · 1.1846 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- pka
- 2.31 · 2.31±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 E8G0QHA8T · 2E8G0QHA8T
Chemistry & industry
Suppliers2 total
上海华思格医药科技有限公司13611612777 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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