2,4-Dimethyl 2,4-quinolinedicarboxylate
Basic information
- CAS
7170-24-3- Standard SMILES
COC(=O)c1cc(C(=O)OC)c2ccccc2n1- InChIKey
MJKAAOICRQGSJB-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Overview
See also: 2,4-Dimethyl quinoline-2,4-dicarboxylate (annotation moved to).
Names & identifiers
- Preferred name
- 2,4-Dimethyl 2,4-quinolinedicarboxylate
- IUPAC
- dimethyl quinoline-2,4-dicarboxylate
- English name
- 2,4-Quinolinedicarboxylic acid, dimethyl ester
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
2,4-Dimethyl 2,4-quinolinedicarboxylateRefChem:443707dimethyl quinoline-2,4-dicarboxylate7170-24-3Dimethyl 2,4-quinolinedicarboxylate2,4-Quinolinedicarboxylic acid, dimethyl esterOprea1_002912Oprea1_377462SCHEMBL72379DTXSID20345460MJKAAOICRQGSJB-UHFFFAOYSA-NHMS1580P18
Show more names
2,4-Quinolinedicarboxylic acid, 2,4-dimethyl ester
AKOS000631424WS-02419DB-422491E71153
Database identifiers
- CAS
7170-24-3- PubChem CID
- 604597
- DTXSID
DTXSID20345460- Nikkaji
- J803.124J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 379.2 · 379.2±22.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- -0.21 · -0.21±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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