Ethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
Basic information
- CAS
4620-34-2- Standard SMILES
CCOC(=O)C1CCc2ccccc2N1- InChIKey
VQCZFBAEEZXPBC-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Ethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
- English name
- 1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid ethyl ester
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
ethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate4620-34-21,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTERMFCD00023885NSC3598541,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl esterEthyl1,2,3,4-tetrahydroquinoline-2-carboxylateSCHEMBL428189SCHEMBL6866536SCHEMBL9143566DTXSID60320458VQCZFBAEEZXPBC-UHFFFAOYSA-N
Show more names
2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester
AKOS015919917AB01391FS-2940NSC-359854SY004834DB-070720CS-0299048ethyl 1,2,3,4-tetrahydroquinolinecarboxylate
Database identifiers
- CAS
4620-34-2- PubChem CID
- 338259
- DTXSID
DTXSID60320458
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 0.05 Torr)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 3.2 · 3.20±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
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
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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