Ethyl 4-(octylamino)benzoate
Basic information
- CAS
55791-74-7- Standard SMILES
CCCCCCCCNc1ccc(C(=O)OCC)cc1- InChIKey
CYTUNEIXWQUYDZ-UHFFFAOYSA-N- Molecular formula
- C17H27NO2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.2041791
Names & identifiers
- Preferred name
- Ethyl 4-(octylamino)benzoate
- IUPAC
- ethyl 4-(octylamino)benzoate
Names & synonyms
ethyl 4-(octylamino)benzoate55791-74-7DTXSID10300705RefChem:343781DTXCID70251840NSC138417CHEMBL27744SCHEMBL28018634NSC-138417DS-001261
Database identifiers
- CAS
55791-74-7- PubChem CID
- 283553
- DTXSID
DTXSID10300705- ChEMBL
CHEMBL27744- Nikkaji
- J2.200.925G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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