2-[(2-methoxyethyl)amino]-2-methylpropan-1-ol

• ChemBase ID: 286166
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: C(NCCOC)(CO)(C)C
• Canonical SMILES: OCC(NCCOC)(C)C
• InChI: InChI=1S/C7H17NO2/c1-7(2,6-9)8-4-5-10-3/h8-9H,4-6H2,1-3H3
• InChIKey: OPVYYBPSAJYYKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]-2-methylpropan-1-ol
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]-2-methylpropan-1-ol
• Synonyms: 2-[(2-methoxyethyl)amino]-2-methylpropan-1-ol

Database IDs

• MDL Number: MFCD12179997
• PubChem SID: 180671697
• PubChem CID: 43416484

CALCULATED PROPERTIES

• Acid pKa: 14.794958
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3794665
• LogD (pH = 7.4): -2.167515
• Log P: -0.2328043
• Molar Refractivity: 41.0862 cm^3
• Polarizability: 16.463104 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 0.0080

Product Information

• Purity: 95%