3-Biphenylcarboxylic acid, 2-(2-(diethylamino)ethoxy)-, methyl ester
Basic information
- CAS
5014-30-2- Standard SMILES
CCN(CC)CCOc1c(C(=O)OC)cccc1-c1ccccc1- InChIKey
SWAICQPNXIDPSY-UHFFFAOYSA-N- Molecular formula
- C20H25NO3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18344366
Names & identifiers
- Preferred name
- 3-Biphenylcarboxylic acid, 2-(2-(diethylamino)ethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate
Names & synonyms
Sch 13025014-30-2BRN 27054893-BIPHENYLCARBOXYLIC ACID, 2-(2-(DIETHYLAMINO)ETHOXY)-, METHYL ESTERDTXSID001982192-(2-(Diethylamino)ethoxy)-3-biphenylcarboxylic acid methyl esterRefChem:277126DTXCID80120710Methyl 2-[2-(diethylamino)ethoxy][1,1'-biphenyl]-3-carboxylate
Database identifiers
- CAS
5014-30-2- PubChem CID
- 21113
- DTXSID
DTXSID00198219- Nikkaji
- J79.017F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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