4-[2-(morpholin-4-yl)ethoxy]aniline dihydrochloride

• ChemBase ID: 20114
• Molecular Formular: C12H20Cl2N2O2
• Molecular Mass: 295.2054
• Monoisotopic Mass: 294.09018325
• SMILES: N1(CCOc2ccc(N)cc2)CCOCC1.Cl.Cl
• Canonical SMILES: Nc1ccc(cc1)OCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C12H18N2O2.2ClH/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14;;/h1-4H,5-10,13H2;2*1H
• InChIKey: HAPWSYRLODQJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethoxy]aniline dihydrochloride
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethoxy]aniline dihydrochloride
• Synonyms: 4-[2-(4-Morpholinyl)ethoxy]aniline dihydrochloride

Database IDs

• MDL Number: MFCD12026493
• PubChem SID: 160983421
• PubChem CID: 23071572

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5847712
• LogD (pH = 7.4): 0.6921061
• Log P: 0.7867927
• Molar Refractivity: 64.3152 cm^3
• Polarizability: 24.682066 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false