4-(2-methoxyphenoxy)aniline

• ChemBase ID: 20124
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(Oc2ccc(N)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1ccc(cc1)N
• InChI: InChI=1S/C13H13NO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
• InChIKey: XFOFRBMGVDBINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)aniline
• IUPAC Traditional name: 4-(2-methoxyphenoxy)aniline
• Synonyms: 4-(2-Methoxyphenoxy)aniline; 4-(2-Methoxyphenoxy)aniline; 4-(2-甲氧基苯氧基)苯胺

Database IDs

• CAS Number: 13066-01-8
• MDL Number: MFCD02663341
• PubChem SID: 160983431
• PubChem CID: 1121067

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4634676
• LogD (pH = 7.4): 2.486632
• Log P: 2.4869359
• Molar Refractivity: 63.4624 cm^3
• Polarizability: 24.31769 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92.2-94.4°C
• Hydrophobicity(logP): 2.582

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 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: 95%; 97%