2-amino-2-methylbutan-1-ol

• ChemBase ID: 265913
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(N)(CO)(CC)C
• Canonical SMILES: CCC(CO)(N)C
• InChI: InChI=1S/C5H13NO/c1-3-5(2,6)4-7/h7H,3-4,6H2,1-2H3
• InChIKey: QHKGDMNPQAZMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09759242
• PubChem SID: 164321823
• PubChem CID: 10154017

CALCULATED PROPERTIES

• Acid pKa: 14.794047
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1170833
• LogD (pH = 7.4): -2.6230366
• 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%