[2-(morpholin-4-yl)phenyl]methanamine dihydrochloride

• ChemBase ID: 262687
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: N1(c2c(CN)cccc2)CCOCC1.Cl.Cl
• Canonical SMILES: NCc1ccccc1N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13;;/h1-4H,5-9,12H2;2*1H
• InChIKey: NQKJHAGKRWZQLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)phenyl]methanamine dihydrochloride
• IUPAC Traditional name: [2-(morpholin-4-yl)phenyl]methanamine dihydrochloride
• Synonyms: [2-(morpholin-4-yl)phenyl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD12913227
• PubChem SID: 164318597
• PubChem CID: 45792135

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9343032
• LogD (pH = 7.4): -0.6737809
• Log P: 0.98855764
• Molar Refractivity: 58.0345 cm^3
• Polarizability: 22.164558 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.55

Product Information

• Purity: 95%