1-(4-methylmorpholin-2-yl)ethan-1-amine

• ChemBase ID: 240822
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C1(CN(CCO1)C)C(N)C
• Canonical SMILES: CN1CCOC(C1)C(N)C
• InChI: InChI=1S/C7H16N2O/c1-6(8)7-5-9(2)3-4-10-7/h6-7H,3-5,8H2,1-2H3
• InChIKey: JANJYTWFQWHFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylmorpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(4-methylmorpholin-2-yl)ethanamine
• Synonyms: 1-(4-methylmorpholin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD21792246
• PubChem SID: 164296732
• PubChem CID: 68190774

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.473263
• LogD (pH = 7.4): -2.6310484
• Log P: -0.3489727
• Molar Refractivity: 41.1014 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.254

Product Information

• Purity: 95%