Basic information
- CAS
459414-73-4- Standard SMILES
Cc1nc2ccc(F)cc2c(=O)n1N- InChIKey
VDDWAGDCXKFEOR-UHFFFAOYSA-N- Molecular formula
- C9H8FN3O
- Average molar mass
- 193.18 g/mol
- Monoisotopic mass
- 193.06514005
Names & identifiers
- Preferred name
- 3-amino-6-fluoro-2-methylquinazolin-4(3H)-one
- IUPAC
- 3-amino-6-fluoro-2-methylquinazolin-4-one
- English name
- Oprea1_375182
- Molecular formula
- C9H8FN3O
- Molecular weight
- 193.18
Names & synonyms
3-amino-6-fluoro-2-methylquinazolin-4(3H)-one459414-73-43-amino-6-fluoro-2-methyl-3,4-dihydroquinazolin-4-one3-amino-6-fluoro-2-methylquinazolin-4-oneMFCD023647104(3H)-quinazolinone, 3-amino-6-fluoro-2-methyl-Oprea1_375182SCHEMBL15538380ALBB-028415BBL029678AKOS002349102FA135569
Show more names
ZINC001439863-amino-6-fluoro-2-methyl-4-quinazolinone3-Amino-6-fluoro-2-methyl-3H-quinazolin-4-one
VS-093623-amino-6-fluoro-2-methyl-quinazolin-4-oneCS-0282411EN300-186440H440283-amino-6-fluoro-2-methyl-4(3H)-quinazolinoneF3097-3402
Database identifiers
- CAS
459414-73-4- PubChem CID
- 730892
- EC Number
- 120-949-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 361.3 · 361.3±44.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 0 · -0+-.0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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