Basic information
- CAS
53206-74-9- Standard SMILES
Cc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)OCC(C)C- InChIKey
SYFXJBNDAATWMO-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-(dimethylamino)ethoxy)-, isobutyl ester
- IUPAC
- 2-methylpropyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid isobutyl ester
- Molecular formula
- C19H31NO3
- Molecular weight
- 321.45
Names & synonyms
BRN 275132353206-74-9p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, ISOBUTYL ESTERIsobutyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID10201268RefChem:367638DTXCID101237592-methylpropyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid isobutyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, 2-methylpropyl ester
Database identifiers
- CAS
53206-74-9- PubChem CID
- 40641
- DTXSID
DTXSID10201268- Nikkaji
- J85.296A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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