Octyl p-aminobenzoate

HCID 26629

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Basic information

CAS: 14309-41-2
Standard SMILES: CCCCCCCCOC(=O)c1ccc(N)cc1
InChIKey: XOEUGELJHSUYGP-UHFFFAOYSA-N
Molecular formula: C15H23NO2
Average molar mass: 249.35 g/mol
Monoisotopic mass: 249.17287898

Names & identifiers

Preferred name: Octyl p-aminobenzoate
IUPAC: octyl 4-aminobenzoate
English name: octyl 4-aminobenzoate
Molecular formula: C15H23NO2
Molecular weight: 249.35

Names & synonyms

OCTYL 4-AMINOBENZOATE14309-41-2octyl p-aminobenzoateBenzoic acid, 4-amino-, octyl esterIXU7L9I5XUNSC 522884NSC-522884DTXSID20657514-AMINO-N-OCTYL BENZOATEBENZOIC ACID, P-AMINO-, OCTYL ESTERRefChem:856097DTXCID8034665

Show more names

4-Aminobenzoic acid octyl ester

Octyl 4-aminobenzoate #UNII-IXU7L9I5XUMLS000550521SCHEMBL769503SCHEMBL6651354CHEMBL1465241HMS2363M12Benzoic acid, 4-amino-,octyl ester

Database identifiers

CAS: 14309-41-2
PubChem CID: 26629
DTXSID: DTXSID2065751
ChEMBL: CHEMBL1465241
UNII: IXU7L9I5XU
Nikkaji: J167.714D

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 18
Formal charge: 0
Complexity: 223

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Boiling point: 392.45 °C · 392.45°C (rough estimate)
Density: 1.0065 · 1.0065 (rough estimate)
refractive index: 1.525 · 1.5250 (estimate)
Water Solubility: 797.9 ug/L · 797.9ug/L(37 ºC)
FDA UNII: 7 L9I5XU · IXU7L9I5XU
EPA Substance Registry System: 4 · Benzoic acid, 4-amino-, octyl ester (14309-41-2)
TSCA: TSCA listed