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

• ChemBase ID: 17672
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: c1(c(cccc1)N)OCCN1CCOCC1
• Canonical SMILES: Nc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C12H18N2O2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
• InChIKey: NJDILKXBXBBAKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(morpholin-4-yl)ethoxy]aniline
• IUPAC Traditional name: 2-[2-(morpholin-4-yl)ethoxy]aniline
• Synonyms: 2-(2-Morpholin-4-yl-ethoxy)-phenylamine; 2-(2-Morpholin-4-ylethoxy)aniline 97%; 2-(2-morpholin-4-ylethoxy)aniline; 2-(2-Morpholinoethoxy)aniline

Database IDs

• CAS Number: 64039-56-1
• MDL Number: MFCD04970982
• PubChem SID: 160980979
• PubChem CID: 6484712

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36582813
• LogD (pH = 7.4): 0.72085047
• Log P: 0.7867927
• Molar Refractivity: 64.3152 cm^3
• Polarizability: 24.684193 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 97%