4-amino-2-(morpholin-4-ylmethyl)phenol

• ChemBase ID: 277486
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(CN2CCOCC2)c(ccc(c1)N)O
• Canonical SMILES: Oc1ccc(cc1CN1CCOCC1)N
• InChI: InChI=1S/C11H16N2O2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2
• InChIKey: SEMWVZDOPKFQFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-(morpholin-4-ylmethyl)phenol
• IUPAC Traditional name: 4-amino-2-(morpholin-4-ylmethyl)phenol
• Synonyms: 4-amino-2-(morpholin-4-ylmethyl)phenol

Database IDs

• MDL Number: MFCD09036213
• PubChem SID: 164333396
• PubChem CID: 415296

CALCULATED PROPERTIES

• Acid pKa: 9.608957
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5090601
• LogD (pH = 7.4): 0.17095143
• Log P: 0.56365085
• Molar Refractivity: 60.3565 cm^3
• Polarizability: 22.765535 Å^3
• Polar Surface Area: 58.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.055

Product Information

• Purity: 95%