[5-amino-2-(morpholin-4-yl)phenyl]methanol

• ChemBase ID: 44536
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(c(cc(cc1)N)CO)N1CCOCC1
• Canonical SMILES: OCc1cc(N)ccc1N1CCOCC1
• InChI: InChI=1S/C11H16N2O2/c12-10-1-2-11(9(7-10)8-14)13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2
• InChIKey: VUCXPUVUVWCVDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-amino-2-(morpholin-4-yl)phenyl]methanol
• IUPAC Traditional name: [5-amino-2-(morpholin-4-yl)phenyl]methanol
• Synonyms: (5-Amino-2-morpholinophenyl)methanol

Database IDs

• CAS Number: 759456-60-5
• MDL Number: MFCD11841019
• PubChem SID: 162049299
• PubChem CID: 23136616

CALCULATED PROPERTIES

• Acid pKa: 15.049113
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.07461747
• LogD (pH = 7.4): 0.2599932
• Log P: 0.2665135
• Molar Refractivity: 61.0774 cm^3
• Polarizability: 22.395742 Å^3
• Polar Surface Area: 58.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135 °C; 133-135°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%