4-(hexadecyloxy)aniline

• ChemBase ID: 302123
• Molecular Formular: C22H39NO
• Molecular Mass: 333.55116
• Monoisotopic Mass: 333.30316487
• SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1)N
• Canonical SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1)N
• InChI: InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19H,2-15,20,23H2,1H3
• InChIKey: DETPMDIIFZGDAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hexadecyloxy)aniline
• IUPAC Traditional name: 4-(hexadecyloxy)aniline
• Synonyms: 4-n-Hexadecyloxyaniline; 4-正十六氧基苯胺

Database IDs

• CAS Number: 7502-06-9
• MDL Number: MFCD00025325
• Beilstein Number: 2655373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 7.5006924
• LogD (pH = 7.4): 7.643211
• Log P: 7.6453714
• Molar Refractivity: 106.3072 cm^3
• Polarizability: 41.67314 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 59-61°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 98%