2-[(2-methylpropyl)amino]ethan-1-ol

• ChemBase ID: 308349
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(CC(C)C)CCO
• Canonical SMILES: OCCNCC(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2)5-7-3-4-8/h6-8H,3-5H2,1-2H3
• InChIKey: VJWZYGQIJWDACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylpropyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-isobutylamino-ethanol
• Synonyms: 2-(isobutylamino)ethanol

Database IDs

• CAS Number: 17091-40-6
• MDL Number: MFCD01727853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8637989
• LogD (pH = 7.4): -2.2630363
• Log P: 0.3613227
• Molar Refractivity: 34.7299 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 32.26 Å^2