2-methoxy-4-(morpholin-4-yl)aniline

• ChemBase ID: 42882
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: N1(c2cc(c(cc2)N)OC)CCOCC1
• Canonical SMILES: COc1cc(ccc1N)N1CCOCC1
• InChI: InChI=1S/C11H16N2O2/c1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
• InChIKey: BQTMHUUWYHEPNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 2-methoxy-4-(morpholin-4-yl)aniline
• Synonyms: 2-Methoxy-4-morpholinoaniline

Database IDs

• CAS Number: 209960-91-8
• MDL Number: MFCD09972210
• PubChem SID: 162047645
• PubChem CID: 414960

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4137834
• LogD (pH = 7.4): 0.8658157
• Log P: 0.876192
• Molar Refractivity: 60.7247 cm^3
• Polarizability: 22.458265 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80 °C; 78-80°C

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT, KEEP COLD
• TSCA Listed: false

Product Information

• Purity: >95%