2-(2-aminophenoxy)aniline

• ChemBase ID: 148015
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1ccc(c(c1)N)Oc1ccccc1N
• Canonical SMILES: Nc1ccccc1Oc1ccccc1N
• InChI: InChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
• InChIKey: GOJFAKBEASOYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminophenoxy)aniline
• IUPAC Traditional name: 2-(2-aminophenoxy)aniline
• Synonyms: 2-Aminophenyl ether; 2,2′-Oxydianiline; 2-(2-aminophenoxy)aniline; 2,2'-Oxydianiline; 2-氨基苯基醚; 2,2′-二氨基二苯醚

Database IDs

• CAS Number: 24878-25-9
• MDL Number: MFCD00792533
• PubChem SID: 162242195; 24870674
• PubChem CID: 458824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8121601
• LogD (pH = 7.4): 1.8156366
• Log P: 1.8156811
• Molar Refractivity: 61.6996 cm^3
• Polarizability: 22.948757 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 64°C; 61-64 °C(lit.)
• Hydrophobicity(logP): 2.146

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-27-36/37/39-45
• 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

• Purity: 95%; 98%
• Linear Formula: O(C6H4NH2)2

DETAILS

Sigma Aldrich - 470716

Packaging
1 g in glass bottle