3-methoxy-2-methyl-2-(methylamino)propan-1-ol

• ChemBase ID: 279322
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: C(NC)(CO)(COC)C
• Canonical SMILES: COCC(NC)(CO)C
• InChI: InChI=1S/C6H15NO2/c1-6(4-8,7-2)5-9-3/h7-8H,4-5H2,1-3H3
• InChIKey: JIOSGYFBQBOXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methyl-2-(methylamino)propan-1-ol
• IUPAC Traditional name: 3-methoxy-2-methyl-2-(methylamino)propan-1-ol
• Synonyms: 3-methoxy-2-methyl-2-(methylamino)propan-1-ol

Database IDs

• MDL Number: MFCD16788609
• PubChem SID: 164335232
• PubChem CID: 54595241

CALCULATED PROPERTIES

• Acid pKa: 14.715019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7194233
• LogD (pH = 7.4): -2.449395
• Log P: -0.58961225
• Molar Refractivity: 36.3376 cm^3
• Polarizability: 14.625383 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.521

Product Information

• Purity: 95%