4-Aminophenyl 3,4,5-tris(dodecyloxy)benzoate
Basic information
- CAS
593280-04-7- Standard SMILES
CCCCCCCCCCCCOc1cc(C(=O)Oc2ccc(N)cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC- InChIKey
XGSIPLJBLMXAEE-UHFFFAOYSA-N- Molecular formula
- C49H83NO5
- Average molar mass
- 766.2 g/mol
- Monoisotopic mass
- 765.62712475
Names & identifiers
- Preferred name
- 4-Aminophenyl 3,4,5-tris(dodecyloxy)benzoate
- IUPAC
- (4-aminophenyl) 3,4,5-tridodecoxybenzoate
Names & synonyms
4-AMINOPHENYL 3,4,5-TRIS(DODECYLOXY)BENZOATE593280-04-7DTXSID50787172
Database identifiers
- CAS
593280-04-7- PubChem CID
- 71363658
- DTXSID
DTXSID50787172- Nikkaji
- J2.490.954I
Properties
Computed structural properties
- XLogP
- 19.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 39
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 796
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Compound notes
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