p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethoxy)-, methyl ester
Basic information
- CAS
52073-24-2- Standard SMILES
CCN(CC)CCOc1c(C(C)C)ccc(C)c1C(=O)OC- InChIKey
BNWQPZXARAASNP-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-(diethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Names & synonyms
BRN 274788252073-24-2p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIETHYLAMINO)ETHOXY)-, METHYL ESTERMethyl 3-(2-(diethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID40200062RefChem:367633DTXCID40122553methyl 2-[2-(diethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate
Database identifiers
- CAS
52073-24-2- PubChem CID
- 40213
- DTXSID
DTXSID40200062- Nikkaji
- J85.291K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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