Basic information
- CAS
106960-78-5- Standard SMILES
CCOC(=O)c1cnc2c(c1)C(=O)CCC2- InChIKey
XIJNJSGZCDFBRJ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Ethyl 5-Oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- ethyl 5-oxo-7,8-dihydro-6H-quinoline-3-carboxylate
- English name
- Ethyl 5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
106960-78-5Ethyl 5-Oxo-5,6,7,8-tetrahydroquinoline-3-carboxylateETHYL 5-OXO-7,8-DIHYDRO-6H-QUINOLINE-3-CARBOXYLATE5-OXO-5,6,7,8-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTERMFCD08669650ethyl 5-oxo-6,7,8-trihydroquinoline-3-carboxylateSCHEMBL3867169DTXSID505447423-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-5-oxo-, ethyl esterSBB054049AKOS016001462SB30466
Show more names
ETHYL 5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
s10471DA-15850SY284683TS-03137CS-0102324F605981Ethyl 5-Oxo-5678-tetrahydroquinoline-3-carboxylate5,6,7,8-tetrahydro-5-oxo-3-quinolinecarboxylic acid ethyl ester
Database identifiers
- CAS
106960-78-5- PubChem CID
- 13600366
- DTXSID
DTXSID50544742
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 367.4 · 367.4±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 1.9 · 1.90±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海威芬奇医药科技有限公司13817485796 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海会兴生物科技有限公司（安 徽稠环生物科技有限公司）18621295758; 18621295758 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
上海智乾生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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