Basic information
- CAS
88612-71-9- Standard SMILES
CCOC(=O)c1ccc2ccccn2c1=O- InChIKey
GBDJVIYRDRPISB-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- Ethyl 4-oxo-4H-quinolizine-3-carboxylate
- IUPAC
- ethyl 4-oxoquinolizine-3-carboxylate
- English name
- Ethyl 4-oxo-4H-quinolizine-3-carboxlate
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
Ethyl 4-oxo-4H-quinolizine-3-carboxylate88612-71-9Ethyl 4-Oxo-4H-quinolizine-3-carboxlateEthyl 4-oxoquinolizine-3-carboxylateMFCD040395403-(Ethoxycarbonyl)-4H-quinolizin-4-one4-Oxo-4H-quinolizine-3-carboxylic Acid Ethyl EsterSCHEMBL4616746DTXSID90404912GBDJVIYRDRPISB-UHFFFAOYSA-N3-ethoxycarbonyl-4H-quinolizin-4-oneAKOS022182390
Show more names
4-oxo-4H-quinazoline-3-carboxylic acid ethyl ester
Ethyl4-oxo-4H-quinolizine-3-carboxylateDS-17116SY115801CS-0100544C76949F4406304H-Quinolizine-3-carboxylic acid, 4-oxo-, ethyl ester
Database identifiers
- CAS
88612-71-9- PubChem CID
- 4615166
- DTXSID
DTXSID90404912
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 111 · 111-113°C
- Boiling point
- 162 · 162-165 °C(Press: 2 Torr)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform
- form
- Solid
- pka
- -2.87 · -2.87±0.40(Predicted)
- color
- Brownish Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesA selective fluorophore which shows a strong fluorescent response to Magesium.
Upstream & downstream products
Downstream products
Suppliers33 total
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
9 records
Compound notes
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