N,N-dioctylaniline

• ChemBase ID: 296272
• Molecular Formular: C22H39N
• Molecular Mass: 317.55176
• Monoisotopic Mass: 317.30825025
• SMILES: CCCCCCCCN(CCCCCCCC)c1ccccc1
• Canonical SMILES: CCCCCCCCN(c1ccccc1)CCCCCCCC
• InChI: InChI=1S/C22H39N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
• InChIKey: PTRSTXBRQVXIEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dioctylaniline
• IUPAC Traditional name: N,N-dioctylaniline
• Synonyms: N,N-Di-n-octylaniline; N,N-二-正-辛基苯胺

Database IDs

• CAS Number: 3007-75-8
• MDL Number: MFCD00155305
• PubChem SID: 180681803
• PubChem CID: 137791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.558593
• LogD (pH = 7.4): 8.262483
• Log P: 8.285637
• Molar Refractivity: 105.0418 cm^3
• Polarizability: 41.04853 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.5495

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%