N-(4-hydroxyphenyl)octadecanamide

• ChemBase ID: 108028
• Molecular Formular: C24H41NO2
• Molecular Mass: 375.58784
• Monoisotopic Mass: 375.31372956
• SMILES: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(26)21-19-22/h18-21,26H,2-17H2,1H3,(H,25,27)
• InChIKey: YASWBJXTHOXPGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)octadecanamide
• IUPAC Traditional name: N-stearoyl-P-aminophenol
• Synonyms: N-(4-Hydroxyphenyl)stearamide; N-STEAROYL-p-AMINOPHENOL; N-(4-羟基苯基)硬脂酰胺

Database IDs

• CAS Number: 103-99-1
• EC Number: 203-165-9
• MDL Number: MFCD00020149
• PubChem SID: 24864030; 162094046
• PubChem CID: 7689

CALCULATED PROPERTIES

• Acid pKa: 9.461598
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 8.276409
• LogD (pH = 7.4): 8.272726
• Log P: 8.276457
• Molar Refractivity: 116.5438 cm^3
• Polarizability: 45.30528 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 131-133 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: technical grade
• Linear Formula: CH3(CH2)16CONHC6H4OH

DETAILS

MP Biomedicals - 05205794

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 385484

Packaging
25 g in glass bottle