2-[2-(diethylamino)ethoxy]aniline

• ChemBase ID: 17674
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: c1(c(cccc1)N)OCCN(CC)CC
• Canonical SMILES: CCN(CCOc1ccccc1N)CC
• InChI: InChI=1S/C12H20N2O/c1-3-14(4-2)9-10-15-12-8-6-5-7-11(12)13/h5-8H,3-4,9-10,13H2,1-2H3
• InChIKey: VILFREPJMKUFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 109598-74-5
• MDL Number: MFCD07396661
• PubChem SID: 160980981
• PubChem CID: 6493755

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6525567
• LogD (pH = 7.4): -0.23277359
• Log P: 1.718909
• Molar Refractivity: 64.7379 cm^3
• Polarizability: 24.734547 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.341

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%