4-(nonyloxy)aniline

• ChemBase ID: 302135
• Molecular Formular: C15H25NO
• Molecular Mass: 235.3651
• Monoisotopic Mass: 235.19361443
• SMILES: CCCCCCCCCOc1ccc(cc1)N
• Canonical SMILES: CCCCCCCCCOc1ccc(cc1)N
• InChI: InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-13-17-15-11-9-14(16)10-12-15/h9-12H,2-8,13,16H2,1H3
• InChIKey: JQLBBFVOAHUASD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(nonyloxy)aniline
• IUPAC Traditional name: 4-(nonyloxy)aniline
• Synonyms: 4-n-Nonyloxyaniline; 4-正壬氧基苯胺

Database IDs

• CAS Number: 50262-67-4
• MDL Number: MFCD00043622
• Beilstein Number: 4232321

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.388712
• LogD (pH = 7.4): 4.53123
• Log P: 4.533391
• Molar Refractivity: 74.1002 cm^3
• Polarizability: 28.74796 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-42°C
• Boiling Point: 176-179°C/2mm

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%