4-[2-(diethylamino)ethoxy]aniline

• ChemBase ID: 20106
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: c1(N)ccc(cc1)OCCN(CC)CC
• Canonical SMILES: CCN(CCOc1ccc(cc1)N)CC
• InChI: InChI=1S/C12H20N2O/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
• InChIKey: LFJGGGIWERIGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(diethylamino)ethoxy]aniline
• IUPAC Traditional name: 4-[2-(diethylamino)ethoxy]aniline
• Synonyms: 4-[2-(Diethylamino)ethoxy]aniline; N-[2-(4-aminophenoxy)ethyl]-N,N-diethylamine

Database IDs

• CAS Number: 38519-63-0
• MDL Number: MFCD05865149
• PubChem SID: 160983413
• PubChem CID: 418932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7405057
• LogD (pH = 7.4): -0.27434528
• Log P: 1.718909
• Molar Refractivity: 64.7379 cm^3
• Polarizability: 24.73236 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.161

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%