Basic information
- CAS
113422-82-5- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(N)cc1- InChIKey
ULTMFMBEPIORKP-UHFFFAOYSA-N- Molecular formula
- C25H43NO2
- Average molar mass
- 389.6 g/mol
- Monoisotopic mass
- 389.32937961
Names & identifiers
- Preferred name
- Octadecyl 4-aminobenzoate
- IUPAC
- octadecyl 4-aminobenzoate
Names & synonyms
octadecyl 4-aminobenzoate113422-82-5Octadecyl-4-AminobenzoateSCHEMBL1265146SCHEMBL7929812DTXSID00597748ULTMFMBEPIORKP-UHFFFAOYSA-N
Database identifiers
- CAS
113422-82-5- PubChem CID
- 19065294
- DTXSID
DTXSID00597748- Nikkaji
- J623.546H
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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