p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, ethyl ester
Basic information
- CAS
52073-23-1- Standard SMILES
CCOC(=O)c1c(C)ccc(C(C)C)c1OCCN(C)C- InChIKey
LGUQLTCUYSWFIN-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, ethyl ester
- IUPAC
- ethyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid ethyl ester
- Molecular formula
- C17H27NO3
- Molecular weight
- 293.4
Names & synonyms
BRN 2746052p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, ETHYL ESTER52073-23-1Ethyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID80200061RefChem:367637DTXCID80122552ethyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid ethyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, ethyl ester
Database identifiers
- CAS
52073-23-1- PubChem CID
- 40212
- DTXSID
DTXSID80200061- Nikkaji
- J85.295C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 390.1 · 390.1±42.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 8.67 · 8.67±0.28(Predicted)
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Related reactions
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Compound notes
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