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

• ChemBase ID: 58106
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1COC(CN1C)CCO
• Canonical SMILES: CN1CC(CCO)OCC1
• InChI: InChI=1S/C7H15NO2/c1-8-3-5-10-7(6-8)2-4-9/h7,9H,2-6H2,1H3
• InChIKey: KMNCMJBGDUZKRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylmorpholin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-methylmorpholin-2-yl)ethanol
• Synonyms: 2-(4-Methylmorpholin-2-yl)ethanol; 2-(4-Methylmorpholin-2-yl)ethanol

Database IDs

• CAS Number: 959238-42-7
• MDL Number: MFCD09864406
• PubChem SID: 162062869
• PubChem CID: 21302848

CALCULATED PROPERTIES

• Acid pKa: 15.8879385
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2738142
• LogD (pH = 7.4): -0.8005828
• Log P: -0.5987062
• Molar Refractivity: 39.8905 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H15NO2

DETAILS

Sigma Aldrich - CBR00293

Other Notes
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Legal Information
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