Basic information
- CAS
53206-75-0- Standard SMILES
Cc1ccc(C(C)C)c(OCCN(C)C)c1C(=O)OCc1ccccc1- InChIKey
MQJPEILRVHPFGH-UHFFFAOYSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.21474379
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, benzyl ester
- IUPAC
- benzyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid benzyl ester
- Molecular formula
- C22H29NO3
- Molecular weight
- 355.47
Names & synonyms
BRN 2774014p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, BENZYL ESTER53206-75-0Benzyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID70201269RefChem:367635DTXCID20123760benzyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid benzyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, phenylmethyl ester
Database identifiers
- CAS
53206-75-0- PubChem CID
- 40642
- DTXSID
DTXSID70201269- Nikkaji
- J85.293G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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