4-[2-(dimethylamino)ethoxy]aniline

• ChemBase ID: 18358
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: c1(N)ccc(cc1)OCCN(C)C
• Canonical SMILES: CN(CCOc1ccc(cc1)N)C
• InChI: InChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
• InChIKey: CCCVQPGAXZNTIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(dimethylamino)ethoxy]aniline
• IUPAC Traditional name: 4-[2-(dimethylamino)ethoxy]aniline
• Synonyms: 4-(2-Dimethylamino-ethoxy)-phenylamine; N-[2-(4-aminophenoxy)ethyl]-N,N-dimethylamine; 4-[2-(dimethylamino)ethoxy]aniline; 4-[2-(Dimethylamino)ethoxy]aniline 97%

Database IDs

• CAS Number: 62345-76-0
• MDL Number: MFCD07801177
• PubChem SID: 160981665
• PubChem CID: 6484655

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2458625
• LogD (pH = 7.4): -0.46306092
• Log P: 1.0052931
• Molar Refractivity: 55.2407 cm^3
• Polarizability: 21.042309 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54.5-57.5°C; 55 - 57°C
• Hydrophobicity(logP): 1.103

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%