1-amino-2-methylbutan-2-ol

• ChemBase ID: 267493
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(O)(CN)(CC)C
• Canonical SMILES: CCC(CN)(O)C
• InChI: InChI=1S/C5H13NO/c1-3-5(2,7)4-6/h7H,3-4,6H2,1-2H3
• InChIKey: LHYVEOGDJNQNEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methylbutan-2-ol
• IUPAC Traditional name: 1-amino-2-methylbutan-2-ol
• Synonyms: 1-amino-2-methylbutan-2-ol

Database IDs

• MDL Number: MFCD09260549
• PubChem SID: 164323403
• PubChem CID: 3016656

CALCULATED PROPERTIES

• Acid pKa: 14.715228
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.097017
• LogD (pH = 7.4): -2.2815738
• Log P: -0.09588679
• Molar Refractivity: 29.7921 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.058

Product Information

• Purity: 95%