1-amino-2,3-dimethylbutan-2-ol

• ChemBase ID: 273562
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(C(C)C)(O)(CN)C
• Canonical SMILES: NCC(C(C)C)(O)C
• InChI: InChI=1S/C6H15NO/c1-5(2)6(3,8)4-7/h5,8H,4,7H2,1-3H3
• InChIKey: RRBXHIYJTGFUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2,3-dimethylbutan-2-ol
• IUPAC Traditional name: 1-amino-2,3-dimethylbutan-2-ol
• Synonyms: 1-amino-2,3-dimethylbutan-2-ol

Database IDs

• MDL Number: MFCD12169421
• PubChem SID: 164329472
• PubChem CID: 17845971

CALCULATED PROPERTIES

• Acid pKa: 14.454809
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.731456
• LogD (pH = 7.4): -1.9095877
• Log P: 0.26908603
• Molar Refractivity: 34.2637 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.341

Product Information

• Purity: 95%