1-metilquinazolina-2,4 (1H, 3H) -diona
- IUPAC Nombre：1-methylquinazoline-2,4-dione
- CAS Registry Number: 604-50-2
- Peso molecular：176.18
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 1-metilquinazolina-2,4 (1H, 3H) -diona
- 1.2 Sinónimos
1-methylquinazoline-2,4(1H,3H)-dione1-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione1-Methyl-2,4(1H,3H)-quinazolinedione1-Methyl-5,6-[1,3]butadienopyrimidine-2,4(1H,3H)-dioneGlycosmicine1-methyl-2,4(1H,3H)-quinazolinedione(SALTDATA: FREE)1-methylquinazoline-2,4-dione1-methylquinazoline-2,4-quinone
- Ver todo
- 1.3 CAS Registry Number
- 604-50-2
- 1.4 CID
- 11788
- 1.5 Fórmula molecular
- C9H8N2O2 (isomer)
- 1.6 Inchi
- InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)
- 1.7 InchiKey
- RWFOOMQYIRITHL-UHFFFAOYSA-N
- 1.8 Canónico SMILES
- CN1C2=CC=CC=C2C(=O)NC1=O
- 1.9 Isómero SMILES
- CN1C2=CC=CC=C2C(=O)NC1=O
2. Propiedades
- 2.1 Densidad
- 1.292
- 2.2 Punto de Derretimiento
- 237.5 °C
- 2.3 Índice refractivo
- 1.585
- 2.4 PSA
- 54.86000
- 2.5 logP
- 0.70 (Predicted)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Árbol de objetos
604-50-2Total: 1 Árbol de objetos
5. Datos químicos computacionales
- Peso molecular: 176.17202g/mol
- Fórmula molecular: C9H8N2O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 176.058577502
- Monoisotopic Mass: 176.058577502
- Complexity: 252
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 49.4
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADAiBmAQzwIPAAACIAiVSUACCAAAlAgAIiAEIZMiIIDrA1ZGEIYhohyJIyecYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
6. Proveedores recomendados
-
- Products:Pharmaceutical Discovery
- Tel:86-21-61900721
-
7. información real del producto
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62484-15-5
7-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
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67449-23-4
8-methylquinazoline-2,4(1H,3H)-dione
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607-19-2
3-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
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52570-39-5
5-methylquinazoline-2,4(1H,3H)-dione
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113366-93-1
1-(2-Hydroxyethyl)-3-methylquinazoline-2,4(1H,3H)-dione
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109113-72-6
2-(chloromethyl)-4-methylquinazoline
-
19181-53-4
4-HYDROXY-6-METHYLQUINAZOLINE
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