p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethoxy)-, ethyl ester
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Basic information
- CAS
52073-25-3- Standard SMILES
CCOC(=O)c1c(C)ccc(C(C)C)c1OCCN(CC)CC- InChIKey
LRUBEPGLRBIWIK-UHFFFAOYSA-N- Molecular formula
- C19H31NO3
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.23039385
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethoxy)-, ethyl ester
- IUPAC
- ethyl 2-[2-(diethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-(Diethylamino)ethoxy]-p-cymene-2-carboxylic acid ethyl ester
- Molecular formula
- C19H31NO3
- Molecular weight
- 321.45
Names & synonyms
BRN 275132052073-25-3p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIETHYLAMINO)ETHOXY)-, ETHYL ESTEREthyl 3-(2-(diethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID00200063RefChem:367632DTXCID00122554ethyl 2-[2-(diethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Diethylamino)ethoxy]-p-cymene-2-carboxylic acid ethyl esterBenzoic acid, 2-[2-(diethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, ethyl ester
Database identifiers
- CAS
52073-25-3- PubChem CID
- 40214
- DTXSID
DTXSID00200063- Nikkaji
- J85.290B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 418.3 · 418.3±45.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 9.6 · 9.60±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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